5-cyano-N-(3-cyano-5-methyl-1H-indol-7-yl)thiophene-2-sulfonamide

C15H10N4O2S2 — CID 172572471

IUPAC5-cyano-N-(3-cyano-5-methyl-1H-indol-7-yl)thiophene-2-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(C#N)s2)c2[nH]cc(C#N)c2c1
InChIInChI=1S/C15H10N4O2S2/c1-9-4-12-10(6-16)8-18-15(12)13(5-9)19-23(20,21)14-3-2-11(7-17)22-14/h2-5,8,18-19H,1H3
InChIKeyJHJROYOTKNPOLT-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.08
Rot. Bonds3

About 5-cyano-N-(3-cyano-5-methyl-1H-indol-7-yl)thiophene-2-sulfonamide

5-cyano-N-(3-cyano-5-methyl-1H-indol-7-yl)thiophene-2-sulfonamide (PubChem CID 172572471) has the molecular formula C15H10N4O2S2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 5-cyano-N-(3-cyano-5-methyl-1H-indol-7-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(3-cyano-5-methyl-1H-indol-7-yl)thiophene-2-sulfonamide
PubChem CID172572471
Molecular FormulaC15H10N4O2S2
Molecular Weight342.41 g/mol
Exact Mass342.02
IUPAC Name5-cyano-N-(3-cyano-5-methyl-1H-indol-7-yl)thiophene-2-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(C#N)s2)c2[nH]cc(C#N)c2c1
InChIInChI=1S/C15H10N4O2S2/c1-9-4-12-10(6-16)8-18-15(12)13(5-9)19-23(20,21)14-3-2-11(7-17)22-14/h2-5,8,18-19H,1H3
InChIKeyJHJROYOTKNPOLT-UHFFFAOYSA-N
XLogP3.08
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyano-N-(2-methyl-5-nitrophenyl)thiophene-2-sulfonamide
CID 106269563
N-(6-chloro-2-methyl-3-pyridinyl)-5-cyanothiophene-2-sulfonamide
CID 106273443
N-(3-cyano-1H-indol-7-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 171055447
N-(2-bromo-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106267209
5-cyano-N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-2-sulfonamide
CID 114166841
5-cyano-N-naphthalen-1-ylthiophene-2-sulfonamide
CID 106266893
5-cyano-N-(2-methylsulfanylphenyl)thiophene-2-sulfonamide
CID 106269401
5-cyano-N-(2,4-dimethoxyphenyl)thiophene-2-sulfonamide
CID 106266909
5-cyano-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide
CID 106266828
5-cyano-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide
CID 106269400
N-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-thiazole-5-sulfonamide
CID 171664629
N-(2-bromo-5-chlorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106268722

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(3-cyano-5-methyl-1H-indol-7-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-(3-cyano-5-methyl-1H-indol-7-yl)thiophene-2-sulfonamide (CID 172572471) is 5-cyano-N-(3-cyano-5-methyl-1H-indol-7-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-(3-cyano-5-methyl-1H-indol-7-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-(3-cyano-5-methyl-1H-indol-7-yl)thiophene-2-sulfonamide is Cc1cc(NS(=O)(=O)c2ccc(C#N)s2)c2[nH]cc(C#N)c2c1.
What is the InChIKey of 5-cyano-N-(3-cyano-5-methyl-1H-indol-7-yl)thiophene-2-sulfonamide?
The InChIKey is JHJROYOTKNPOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O2S2/c1-9-4-12-10(6-16)8-18-15(12)13(5-9)19-23(20,21)14-3-2-11(7-17)22-14/h2-5,8,18-19H,1H3.
What are the key properties of 5-cyano-N-(3-cyano-5-methyl-1H-indol-7-yl)thiophene-2-sulfonamide?
5-cyano-N-(3-cyano-5-methyl-1H-indol-7-yl)thiophene-2-sulfonamide has a molecular weight of 342.41 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(3-cyano-5-methyl-1H-indol-7-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 172572471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).