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3-((4-Methylpiperazin-1-yl)sulfonyl)aniline - ≥98%, high purity , CAS No.436095-35-1
Basic Description
Specifications & Purity
≥98%
Storage Temp
Store at 2-8°C,Protected from light,Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonamides
Intermediate Tree Nodes
Not available
Direct Parent
Aminobenzenesulfonamides
Alternative Parents
Benzenesulfonyl compounds Aniline and substituted anilines N-methylpiperazines Organosulfonamides Sulfonyls Trialkylamines Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminobenzenesulfonamide - Benzenesulfonyl group - Aniline or substituted anilines - N-alkylpiperazine - N-methylpiperazine - 1,4-diazinane - Piperazine - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Primary amine - Organic oxide - Organosulfur compound - Organonitrogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Aromatic heteromonocyclic 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-(4-methylpiperazin-1-yl)sulfonylaniline
INCHI
InChI=1S/C11H17N3O2S/c1-13-5-7-14(8-6-13)17(15,16)11-4-2-3-10(12)9-11/h2-4,9H,5-8,12H2,1H3
InChIKey
LENADRWBVLFBSX-UHFFFAOYSA-N
Smiles
CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)N
Isomeric SMILES
CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)N
PubChem CID
3197648
Molecular Weight
255.34
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
255.340 g/mol
XLogP3
0.200
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
255.104 Da
Monoisotopic Mass
255.104 Da
Topological Polar Surface Area
75.000 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
344.000
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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