N-(3-cyano-4-methyl-1H-indol-7-yl)-2,4-difluorobenzenesulfonamide

C16H11F2N3O2S — CID 155116682

IUPACN-(3-cyano-4-methyl-1H-indol-7-yl)-2,4-difluorobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(F)cc2F)c2[nH]cc(C#N)c12
InChIInChI=1S/C16H11F2N3O2S/c1-9-2-4-13(16-15(9)10(7-19)8-20-16)21-24(22,23)14-5-3-11(17)6-12(14)18/h2-6,8,20-21H,1H3
InChIKeyIHQVZMKFDUXINU-UHFFFAOYSA-N
MW347.35 g/mol
LogP3.43
Rot. Bonds3

About N-(3-cyano-4-methyl-1H-indol-7-yl)-2,4-difluorobenzenesulfonamide

N-(3-cyano-4-methyl-1H-indol-7-yl)-2,4-difluorobenzenesulfonamide (PubChem CID 155116682) has the molecular formula C16H11F2N3O2S and a molecular weight of 347.35 g/mol. Its IUPAC name is N-(3-cyano-4-methyl-1H-indol-7-yl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-cyano-4-methyl-1H-indol-7-yl)-2,4-difluorobenzenesulfonamide
PubChem CID155116682
Molecular FormulaC16H11F2N3O2S
Molecular Weight347.35 g/mol
Exact Mass347.05
IUPAC NameN-(3-cyano-4-methyl-1H-indol-7-yl)-2,4-difluorobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(F)cc2F)c2[nH]cc(C#N)c12
InChIInChI=1S/C16H11F2N3O2S/c1-9-2-4-13(16-15(9)10(7-19)8-20-16)21-24(22,23)14-5-3-11(17)6-12(14)18/h2-6,8,20-21H,1H3
InChIKeyIHQVZMKFDUXINU-UHFFFAOYSA-N
XLogP3.43
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-cyano-4-methyl-1H-indol-7-yl)-2,4-difluorobenzenesulfonamide 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

E 7820
CID 196970
N-(2-(3-Indolyl)ethyl)-P-toluenesulfonamide
CID 2737722
N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2475352
N-[2-(1H-Indol-3-yl)-ethyl]4-pentyl-benzenesulfonamide
CID 3775371
N-[2-(1H-indol-3-yl)ethyl]-4-(2-methylphenyl)benzene-1-sulfonamide
CID 24825381
N-[3-(1H-indol-3-yl)propyl]-4-pentylbenzene-1-sulfonamide
CID 24825393
N-[4-(1H-indol-3-yl)butyl]-4-pentylbenzene-1-sulfonamide
CID 24825394
5-Vinyl-3-pyridinecarbonitrile, 43
CID 44473025
(S)-N-(3-(1-cyclopropyl-1-(2,4-difluorophenyl)ethyl)-1H-indol-7-yl)methanesulfonamide
CID 24749808
N-[3-[1-cyclopropyl-1-(4-fluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide
CID 53320087
2-(1-(5-(phenylsulfonamido)-1H-indol-3-yl)ethylidene)hydrazinecarboximidamide
CID 135804742
4-fluoro-N-(2-indol-1-ylethyl)benzenesulfonamide
CID 4625387

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-methyl-1H-indol-7-yl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-(3-cyano-4-methyl-1H-indol-7-yl)-2,4-difluorobenzenesulfonamide (CID 155116682) is N-(3-cyano-4-methyl-1H-indol-7-yl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(3-cyano-4-methyl-1H-indol-7-yl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(3-cyano-4-methyl-1H-indol-7-yl)-2,4-difluorobenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(F)cc2F)c2[nH]cc(C#N)c12.
What is the InChIKey of N-(3-cyano-4-methyl-1H-indol-7-yl)-2,4-difluorobenzenesulfonamide?
The InChIKey is IHQVZMKFDUXINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3O2S/c1-9-2-4-13(16-15(9)10(7-19)8-20-16)21-24(22,23)14-5-3-11(17)6-12(14)18/h2-6,8,20-21H,1H3.
What are the key properties of N-(3-cyano-4-methyl-1H-indol-7-yl)-2,4-difluorobenzenesulfonamide?
N-(3-cyano-4-methyl-1H-indol-7-yl)-2,4-difluorobenzenesulfonamide has a molecular weight of 347.35 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-methyl-1H-indol-7-yl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 155116682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).