5-cyano-N-(4-methylsulfanylphenyl)thiophene-2-sulfonamide

C12H10N2O2S3 — CID 106266948

IUPAC5-cyano-N-(4-methylsulfanylphenyl)thiophene-2-sulfonamide
SMILESCSc1ccc(NS(=O)(=O)c2ccc(C#N)s2)cc1
InChIInChI=1S/C12H10N2O2S3/c1-17-10-4-2-9(3-5-10)14-19(15,16)12-7-6-11(8-13)18-12/h2-7,14H,1H3
InChIKeyVIJRDFMPXSETPJ-UHFFFAOYSA-N
MW310.43 g/mol
LogP3.14
Rot. Bonds4

About 5-cyano-N-(4-methylsulfanylphenyl)thiophene-2-sulfonamide

5-cyano-N-(4-methylsulfanylphenyl)thiophene-2-sulfonamide (PubChem CID 106266948) has the molecular formula C12H10N2O2S3 and a molecular weight of 310.43 g/mol. Its IUPAC name is 5-cyano-N-(4-methylsulfanylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(4-methylsulfanylphenyl)thiophene-2-sulfonamide
PubChem CID106266948
Molecular FormulaC12H10N2O2S3
Molecular Weight310.43 g/mol
Exact Mass309.99
IUPAC Name5-cyano-N-(4-methylsulfanylphenyl)thiophene-2-sulfonamide
SMILESCSc1ccc(NS(=O)(=O)c2ccc(C#N)s2)cc1
InChIInChI=1S/C12H10N2O2S3/c1-17-10-4-2-9(3-5-10)14-19(15,16)12-7-6-11(8-13)18-12/h2-7,14H,1H3
InChIKeyVIJRDFMPXSETPJ-UHFFFAOYSA-N
XLogP3.14
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-cyano-N-(4-methylsulfanylphenyl)thiophene-2-sulfonamide 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

5-cyano-N-(4-hydroxyphenyl)thiophene-2-sulfonamide
CID 106269600
5-cyano-N-(3-iodo-4-methylphenyl)thiophene-2-sulfonamide
CID 114189417
5-cyano-N-(2-methylsulfanylphenyl)thiophene-2-sulfonamide
CID 106269401
N-(4-amino-3-methylphenyl)-5-cyanothiophene-2-sulfonamide
CID 106265196
5-cyano-N-[4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide
CID 106267245
N-(3-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106267208
5-cyano-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide
CID 106269400
N-(3-chloro-4-hydroxyphenyl)-5-cyanothiophene-2-sulfonamide
CID 106272309
N-(6-amino-2,3-difluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106265286
methyl 3-[(5-cyanothiophen-2-yl)sulfonylamino]benzoate
CID 106273151
5-cyano-N-quinolin-6-ylthiophene-2-sulfonamide
CID 106268086
5-cyano-N-[3-(hydroxymethyl)phenyl]thiophene-2-sulfonamide
CID 106272386

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(4-methylsulfanylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-(4-methylsulfanylphenyl)thiophene-2-sulfonamide (CID 106266948) is 5-cyano-N-(4-methylsulfanylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-(4-methylsulfanylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-(4-methylsulfanylphenyl)thiophene-2-sulfonamide is CSc1ccc(NS(=O)(=O)c2ccc(C#N)s2)cc1.
What is the InChIKey of 5-cyano-N-(4-methylsulfanylphenyl)thiophene-2-sulfonamide?
The InChIKey is VIJRDFMPXSETPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S3/c1-17-10-4-2-9(3-5-10)14-19(15,16)12-7-6-11(8-13)18-12/h2-7,14H,1H3.
What are the key properties of 5-cyano-N-(4-methylsulfanylphenyl)thiophene-2-sulfonamide?
5-cyano-N-(4-methylsulfanylphenyl)thiophene-2-sulfonamide has a molecular weight of 310.43 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(4-methylsulfanylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106266948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).