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

C15H11N3O2S — CID 10494228

IUPAC4-cyano-N-(1H-indol-7-yl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2cccc3cc[nH]c23)cc1
InChIInChI=1S/C15H11N3O2S/c16-10-11-4-6-13(7-5-11)21(19,20)18-14-3-1-2-12-8-9-17-15(12)14/h1-9,17-18H
InChIKeyJSVFRMBPBNSBEV-UHFFFAOYSA-N
MW297.34 g/mol
LogP2.84
Rot. Bonds3

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

4-cyano-N-(1H-indol-7-yl)benzenesulfonamide (PubChem CID 10494228) has the molecular formula C15H11N3O2S and a molecular weight of 297.34 g/mol. Its IUPAC name is 4-cyano-N-(1H-indol-7-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(1H-indol-7-yl)benzenesulfonamide
PubChem CID10494228
Molecular FormulaC15H11N3O2S
Molecular Weight297.34 g/mol
Exact Mass297.06
IUPAC Name4-cyano-N-(1H-indol-7-yl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2cccc3cc[nH]c23)cc1
InChIInChI=1S/C15H11N3O2S/c16-10-11-4-6-13(7-5-11)21(19,20)18-14-3-1-2-12-8-9-17-15(12)14/h1-9,17-18H
InChIKeyJSVFRMBPBNSBEV-UHFFFAOYSA-N
XLogP2.84
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-cyano-N-(1H-indol-7-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Indisulam
CID 216468
Ro4368554
CID 6918682
N-(Quinolin-8-yl)benzenesulfonamide
CID 161167
8-(p-Toluenesulfonylamino)quinoline
CID 82533
E 7820
CID 196970
N-(2-(3-Indolyl)ethyl)-P-toluenesulfonamide
CID 2737722
1-(Phenylsulfonyl)-1H-indole
CID 315017
N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2475352
pyrrolidinylindole, (R)-5b
CID 11351089
Substituted phenylsulfonyltryptamine, 11j
CID 23655465
N-[2-(1H-Indol-3-yl)-ethyl]4-pentyl-benzenesulfonamide
CID 3775371
n1-(4-Aminobenzenesulfonyl)skatole
CID 10356663

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(1H-indol-7-yl)benzenesulfonamide?
The IUPAC name of 4-cyano-N-(1H-indol-7-yl)benzenesulfonamide (CID 10494228) is 4-cyano-N-(1H-indol-7-yl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(1H-indol-7-yl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N-(1H-indol-7-yl)benzenesulfonamide is N#Cc1ccc(S(=O)(=O)Nc2cccc3cc[nH]c23)cc1.
What is the InChIKey of 4-cyano-N-(1H-indol-7-yl)benzenesulfonamide?
The InChIKey is JSVFRMBPBNSBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2S/c16-10-11-4-6-13(7-5-11)21(19,20)18-14-3-1-2-12-8-9-17-15(12)14/h1-9,17-18H.
What are the key properties of 4-cyano-N-(1H-indol-7-yl)benzenesulfonamide?
4-cyano-N-(1H-indol-7-yl)benzenesulfonamide has a molecular weight of 297.34 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(1H-indol-7-yl)benzenesulfonamide is sourced from PubChem (CID 10494228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).