4-amino-N-(3-chloro-4-cyano-1H-indol-7-yl)benzenesulfonamide

C15H11ClN4O2S — CID 11175421

IUPAC4-amino-N-(3-chloro-4-cyano-1H-indol-7-yl)benzenesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2ccc(N)cc2)c2[nH]cc(Cl)c12
InChIInChI=1S/C15H11ClN4O2S/c16-12-8-19-15-13(6-1-9(7-17)14(12)15)20-23(21,22)11-4-2-10(18)3-5-11/h1-6,8,19-20H,18H2
InChIKeyRMLUYLSVKDNTTJ-UHFFFAOYSA-N
MW346.80 g/mol
LogP3.08
Rot. Bonds3

About 4-amino-N-(3-chloro-4-cyano-1H-indol-7-yl)benzenesulfonamide

4-amino-N-(3-chloro-4-cyano-1H-indol-7-yl)benzenesulfonamide (PubChem CID 11175421) has the molecular formula C15H11ClN4O2S and a molecular weight of 346.80 g/mol. Its IUPAC name is 4-amino-N-(3-chloro-4-cyano-1H-indol-7-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(3-chloro-4-cyano-1H-indol-7-yl)benzenesulfonamide
PubChem CID11175421
Molecular FormulaC15H11ClN4O2S
Molecular Weight346.80 g/mol
Exact Mass346.03
IUPAC Name4-amino-N-(3-chloro-4-cyano-1H-indol-7-yl)benzenesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2ccc(N)cc2)c2[nH]cc(Cl)c12
InChIInChI=1S/C15H11ClN4O2S/c16-12-8-19-15-13(6-1-9(7-17)14(12)15)20-23(21,22)11-4-2-10(18)3-5-11/h1-6,8,19-20H,18H2
InChIKeyRMLUYLSVKDNTTJ-UHFFFAOYSA-N
XLogP3.08
TPSA111.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.80
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-(3,4-dichloro-1H-indol-7-yl)benzene-1,4-disulfonamide
CID 22228546
4-amino-N-(3-chloro-1H-indol-7-yl)benzenesulfonamide
CID 10268048
3-cyano-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide
CID 164863478
5-amino-N-(4-chloro-3-cyano-1H-indol-7-yl)-1-methylpyrazole-4-sulfonamide
CID 155193606
N-(3-cyano-4-methyl-1H-indol-7-yl)-4-[(Z)-1,2-diaminoethenyl]benzenesulfonamide
CID 174263047
4-(4-aminocyclohexyl)oxy-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide
CID 164877468
3-chloro-N-(2-chloro-4-methylphenyl)-4-cyanobenzenesulfonamide
CID 115588624
N-(3-cyano-4-methyl-1H-indol-7-yl)-4-phenoxybenzenesulfonamide
CID 155116684
1-[(2R)-1-amino-1-hydroxypropan-2-yl]-N-(4-chloro-3-cyano-1H-indol-7-yl)pyrazole-4-sulfonamide
CID 167077237
4-(azidomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzenesulfonamide
CID 126455838
5-chloro-N-(4-chloro-3-cyano-1H-indol-7-yl)-1-methylpyrazole-4-sulfonamide
CID 155193649
N-(3,4-dichloro-1H-indol-7-yl)-1H-pyrazole-4-sulfonamide
CID 155193461

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-chloro-4-cyano-1H-indol-7-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(3-chloro-4-cyano-1H-indol-7-yl)benzenesulfonamide (CID 11175421) is 4-amino-N-(3-chloro-4-cyano-1H-indol-7-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(3-chloro-4-cyano-1H-indol-7-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(3-chloro-4-cyano-1H-indol-7-yl)benzenesulfonamide is N#Cc1ccc(NS(=O)(=O)c2ccc(N)cc2)c2[nH]cc(Cl)c12.
What is the InChIKey of 4-amino-N-(3-chloro-4-cyano-1H-indol-7-yl)benzenesulfonamide?
The InChIKey is RMLUYLSVKDNTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O2S/c16-12-8-19-15-13(6-1-9(7-17)14(12)15)20-23(21,22)11-4-2-10(18)3-5-11/h1-6,8,19-20H,18H2.
What are the key properties of 4-amino-N-(3-chloro-4-cyano-1H-indol-7-yl)benzenesulfonamide?
4-amino-N-(3-chloro-4-cyano-1H-indol-7-yl)benzenesulfonamide has a molecular weight of 346.80 g/mol, XLogP of 3.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-chloro-4-cyano-1H-indol-7-yl)benzenesulfonamide is sourced from PubChem (CID 11175421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).