6-(4-cyanophenyl)-1H-indole-3-sulfonamide

C15H11N3O2S — CID 174968242

IUPAC6-(4-cyanophenyl)-1H-indole-3-sulfonamide
SMILESN#Cc1ccc(-c2ccc3c(S(N)(=O)=O)c[nH]c3c2)cc1
InChIInChI=1S/C15H11N3O2S/c16-8-10-1-3-11(4-2-10)12-5-6-13-14(7-12)18-9-15(13)21(17,19)20/h1-7,9,18H,(H2,17,19,20)
InChIKeyLUOJUIVBZWOQEO-UHFFFAOYSA-N
MW297.34 g/mol
LogP2.35
Rot. Bonds2

About 6-(4-cyanophenyl)-1H-indole-3-sulfonamide

6-(4-cyanophenyl)-1H-indole-3-sulfonamide (PubChem CID 174968242) has the molecular formula C15H11N3O2S and a molecular weight of 297.34 g/mol. Its IUPAC name is 6-(4-cyanophenyl)-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-(4-cyanophenyl)-1H-indole-3-sulfonamide
PubChem CID174968242
Molecular FormulaC15H11N3O2S
Molecular Weight297.34 g/mol
Exact Mass297.06
IUPAC Name6-(4-cyanophenyl)-1H-indole-3-sulfonamide
SMILESN#Cc1ccc(-c2ccc3c(S(N)(=O)=O)c[nH]c3c2)cc1
InChIInChI=1S/C15H11N3O2S/c16-8-10-1-3-11(4-2-10)12-5-6-13-14(7-12)18-9-15(13)21(17,19)20/h1-7,9,18H,(H2,17,19,20)
InChIKeyLUOJUIVBZWOQEO-UHFFFAOYSA-N
XLogP2.35
TPSA99.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-cyano-3-methoxyphenyl)-1H-indole-3-sulfonamide
CID 174969217
N-(4-cyanophenyl)-6-fluoro-1H-indole-3-sulfonamide
CID 135187095
3-nitroso-1H-indole-6-carbonitrile
CID 118241553
N-[3-[(4-cyanophenyl)methylsulfonyl]-1H-indol-6-yl]methanesulfonamide
CID 71179158
5-cyano-2-fluorobenzenesulfonamide
CID 67530919
3-(3,5-dichlorophenyl)sulfonyl-4-oxo-1H-quinoline-6-carbonitrile
CID 45498335
4-(5-methyl-1H-pyrrol-3-yl)benzonitrile
CID 59765545
4-[(6-chloro-4-oxo-1H-quinolin-3-yl)sulfonyl]benzonitrile
CID 46507225
3-(3-chloro-4-fluorophenyl)sulfonyl-4-oxo-1H-quinoline-7-carbonitrile
CID 45498332
3-[(1R)-1-aminoethyl]-1H-indole-6-carbonitrile
CID 107917700
2-(6-cyano-1H-indol-3-yl)ethyl carbamate
CID 175555647
6-nitro-1H-indole-3-sulfonyl chloride
CID 14736087

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyanophenyl)-1H-indole-3-sulfonamide?
The IUPAC name of 6-(4-cyanophenyl)-1H-indole-3-sulfonamide (CID 174968242) is 6-(4-cyanophenyl)-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-(4-cyanophenyl)-1H-indole-3-sulfonamide?
The canonical SMILES for 6-(4-cyanophenyl)-1H-indole-3-sulfonamide is N#Cc1ccc(-c2ccc3c(S(N)(=O)=O)c[nH]c3c2)cc1.
What is the InChIKey of 6-(4-cyanophenyl)-1H-indole-3-sulfonamide?
The InChIKey is LUOJUIVBZWOQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2S/c16-8-10-1-3-11(4-2-10)12-5-6-13-14(7-12)18-9-15(13)21(17,19)20/h1-7,9,18H,(H2,17,19,20).
What are the key properties of 6-(4-cyanophenyl)-1H-indole-3-sulfonamide?
6-(4-cyanophenyl)-1H-indole-3-sulfonamide has a molecular weight of 297.34 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyanophenyl)-1H-indole-3-sulfonamide is sourced from PubChem (CID 174968242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).