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N-cyclohexyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide , CAS No.438488-95-0
Basic Description
Synonyms
N-cyclohexyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide | Oprea1_311380 | Oprea1_609606 | BDBM50155936 | AKOS000808061 | PD120545 | EU-0078745 | AQ-390/40003475 | EN300-18266090 | SR-01000104162 | SR-01000104162-1 | Q27459884 | Z57300850 | N-c
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Naphthalene sulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
1-naphthalene sulfonic acids and derivatives
Alternative Parents
1-naphthalene sulfonamides Isoindolones Indoles and derivatives Organosulfonamides Tertiary carboxylic acid amides Aminosulfonyl compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalene sulfonic acid or derivatives - Naphthalene sulfonamide - 1-naphthalene sulfonamide - Isoindolone - Indole or derivatives - Isoindole or derivatives - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-naphthalene sulfonic acids and derivatives. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group (or a derivative thereof) at the 1-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
N-cyclohexyl-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide
INCHI
InChI=1S/C19H22N2O3S/c1-2-21-16-11-12-17(14-9-6-10-15(18(14)16)19(21)22)25(23,24)20-13-7-4-3-5-8-13/h6,9-13,20H,2-5,7-8H2,1H3
InChIKey
JFSBLFHOLQSPDO-UHFFFAOYSA-N
Smiles
CCN1C2=C3C(=C(C=C2)S(=O)(=O)NC4CCCCC4)C=CC=C3C1=O
Isomeric SMILES
CCN1C2=C3C(=C(C=C2)S(=O)(=O)NC4CCCCC4)C=CC=C3C1=O
PubChem CID
1192817
Molecular Weight
358.5
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
358.500 g/mol
XLogP3
3.400
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
358.135 Da
Monoisotopic Mass
358.135 Da
Topological Polar Surface Area
74.900 Ų
Heavy Atom Count
25
Formal Charge
0
Complexity
609.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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