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N-(3-Chlorophenyl) 3-aminobenzenesulfonamide - 95%, high purity , CAS No.438017-93-7
Basic Description
Synonyms
N-(3-CHLOROPHENYL) 3-AMINOBENZENESULFONAMIDE | 438017-93-7 | 3-amino-N-(3-chlorophenyl)benzenesulfonamide | 3-Amino-N-(3-chlorophenyl)benzene-1-sulfonamide | N-(3-Chlorophenyl)3-aminobenzenesulfonamide | 3-Amino-N-(3-chloro-phenyl)-benzenesulfonamide | DTXSID70396987
Specifications & Purity
≥95%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonamides
Intermediate Tree Nodes
Not available
Direct Parent
Aminobenzenesulfonamides
Alternative Parents
Sulfanilides Benzenesulfonyl compounds Aniline and substituted anilines Chlorobenzenes Organosulfonamides Aryl chlorides Aminosulfonyl compounds Primary amines Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aminobenzenesulfonamide - Sulfanilide - Benzenesulfonyl group - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Organosulfonic acid amide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Organic oxygen compound - Primary amine - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the 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.
Names and Identifiers
IUPAC Name
3-amino-N-(3-chlorophenyl)benzenesulfonamide
INCHI
InChI=1S/C12H11ClN2O2S/c13-9-3-1-5-11(7-9)15-18(16,17)12-6-2-4-10(14)8-12/h1-8,15H,14H2
InChIKey
FDVYFKMOPNABOK-UHFFFAOYSA-N
Smiles
C1=CC(=CC(=C1)S(=O)(=O)NC2=CC(=CC=C2)Cl)N
Isomeric SMILES
C1=CC(=CC(=C1)S(=O)(=O)NC2=CC(=CC=C2)Cl)N
Molecular Weight
282.7
Reaxy-Rn
18819847
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18819847&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
282.750 g/mol
XLogP3
2.700
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
282.023 Da
Monoisotopic Mass
282.023 Da
Topological Polar Surface Area
80.600 Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
369.000
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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