4-cyano-3-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide

C15H14N2O2S2 — CID 106831770

IUPAC4-cyano-3-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
SMILESCSc1ccccc1NS(=O)(=O)c1ccc(C#N)c(C)c1
InChIInChI=1S/C15H14N2O2S2/c1-11-9-13(8-7-12(11)10-16)21(18,19)17-14-5-3-4-6-15(14)20-2/h3-9,17H,1-2H3
InChIKeyYMMYIKBDAJFSSH-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.39
Rot. Bonds4

About 4-cyano-3-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide

4-cyano-3-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide (PubChem CID 106831770) has the molecular formula C15H14N2O2S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-cyano-3-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-3-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
PubChem CID106831770
Molecular FormulaC15H14N2O2S2
Molecular Weight318.42 g/mol
Exact Mass318.05
IUPAC Name4-cyano-3-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
SMILESCSc1ccccc1NS(=O)(=O)c1ccc(C#N)c(C)c1
InChIInChI=1S/C15H14N2O2S2/c1-11-9-13(8-7-12(11)10-16)21(18,19)17-14-5-3-4-6-15(14)20-2/h3-9,17H,1-2H3
InChIKeyYMMYIKBDAJFSSH-UHFFFAOYSA-N
XLogP3.39
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-cyano-3-methyl-N-(2-methylsulfanylphenyl)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

4-cyano-N-(2-iodophenyl)-3-methylbenzenesulfonamide
CID 106831745
4-cyano-N-[2-(hydroxymethyl)phenyl]-3-methylbenzenesulfonamide
CID 106920475
3-amino-4-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 61107273
N-(5-bromo-2-methylphenyl)-4-cyano-3-methylbenzenesulfonamide
CID 106831795
4-cyano-N-(2-hydroxy-5-methylphenyl)-3-methylbenzenesulfonamide
CID 106831820
4-cyano-N,3-dimethylbenzenesulfonamide
CID 106832880
N-(4-bromo-2-chlorophenyl)-4-cyano-3-methylbenzenesulfonamide
CID 106831780
N-(2-chloro-6-fluorophenyl)-4-cyano-3-methylbenzenesulfonamide
CID 106919890
5-cyano-N-(2-methylsulfanylphenyl)thiophene-2-sulfonamide
CID 106269401
N-benzyl-4-cyano-3-methylbenzenesulfonamide
CID 106832859
N-(5-bromo-2-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 104878072
4-cyano-N-(1-cyclopentylethyl)-3-methylbenzenesulfonamide
CID 106833286

Frequently Asked Questions

What is the IUPAC name of 4-cyano-3-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide?
The IUPAC name of 4-cyano-3-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide (CID 106831770) is 4-cyano-3-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-3-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide?
The canonical SMILES for 4-cyano-3-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide is CSc1ccccc1NS(=O)(=O)c1ccc(C#N)c(C)c1.
What is the InChIKey of 4-cyano-3-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide?
The InChIKey is YMMYIKBDAJFSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S2/c1-11-9-13(8-7-12(11)10-16)21(18,19)17-14-5-3-4-6-15(14)20-2/h3-9,17H,1-2H3.
What are the key properties of 4-cyano-3-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide?
4-cyano-3-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide has a molecular weight of 318.42 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-3-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide is sourced from PubChem (CID 106831770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).