3-cyano-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide

C15H9Cl2N3O2S — CID 164863478

IUPAC3-cyano-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2ccc(Cl)c3c(Cl)c[nH]c23)c1
InChIInChI=1S/C15H9Cl2N3O2S/c16-11-4-5-13(15-14(11)12(17)8-19-15)20-23(21,22)10-3-1-2-9(6-10)7-18/h1-6,8,19-20H
InChIKeyPJVXGBPECHZEBC-UHFFFAOYSA-N
MW366.23 g/mol
LogP4.15
Rot. Bonds3

About 3-cyano-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide

3-cyano-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide (PubChem CID 164863478) has the molecular formula C15H9Cl2N3O2S and a molecular weight of 366.23 g/mol. Its IUPAC name is 3-cyano-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide
PubChem CID164863478
Molecular FormulaC15H9Cl2N3O2S
Molecular Weight366.23 g/mol
Exact Mass364.98
IUPAC Name3-cyano-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2ccc(Cl)c3c(Cl)c[nH]c23)c1
InChIInChI=1S/C15H9Cl2N3O2S/c16-11-4-5-13(15-14(11)12(17)8-19-15)20-23(21,22)10-3-1-2-9(6-10)7-18/h1-6,8,19-20H
InChIKeyPJVXGBPECHZEBC-UHFFFAOYSA-N
XLogP4.15
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.23
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-cyano-N-(3,4-dichloro-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

3-cyano-N-(4-methoxy-3-methyl-1H-indol-7-yl)benzenesulfonamide
CID 170407735
N-(2-chloro-4-hydroxyphenyl)-3-cyanobenzenesulfonamide
CID 64786986
4-N-(3,4-dichloro-1H-indol-7-yl)benzene-1,4-disulfonamide
CID 22228546
N-(3-chloro-2-methylphenyl)-3-cyanobenzenesulfonamide
CID 7938773
N-(3,4-dichloro-1H-indol-7-yl)-1H-pyrazole-4-sulfonamide
CID 155193461
3-cyano-N-(2-iodophenyl)benzenesulfonamide
CID 7938667
4-amino-N-(3-chloro-4-cyano-1H-indol-7-yl)benzenesulfonamide
CID 11175421
methyl N-[2-chloro-4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]carbamate
CID 164863691
N-(2-chloro-4-cyanophenyl)-3-hydroxybenzenesulfonamide
CID 107809240
N-(5-chloro-4-fluoro-2-hydroxyphenyl)-3-cyanobenzenesulfonamide
CID 82722836
N-(3,4-dichloro-1H-indol-7-yl)-4-(difluoromethoxy)-3-fluorobenzenesulfonamide
CID 164877886
3-cyano-N-(2,4,5-trifluorophenyl)benzenesulfonamide
CID 62815564

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide?
The IUPAC name of 3-cyano-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide (CID 164863478) is 3-cyano-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide is N#Cc1cccc(S(=O)(=O)Nc2ccc(Cl)c3c(Cl)c[nH]c23)c1.
What is the InChIKey of 3-cyano-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide?
The InChIKey is PJVXGBPECHZEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N3O2S/c16-11-4-5-13(15-14(11)12(17)8-19-15)20-23(21,22)10-3-1-2-9(6-10)7-18/h1-6,8,19-20H.
What are the key properties of 3-cyano-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide?
3-cyano-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide has a molecular weight of 366.23 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide is sourced from PubChem (CID 164863478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).