4-cyano-N-(2-hydroxy-5-methylphenyl)-3-methylbenzenesulfonamide

C15H14N2O3S — CID 106831820

IUPAC4-cyano-N-(2-hydroxy-5-methylphenyl)-3-methylbenzenesulfonamide
SMILESCc1ccc(O)c(NS(=O)(=O)c2ccc(C#N)c(C)c2)c1
InChIInChI=1S/C15H14N2O3S/c1-10-3-6-15(18)14(7-10)17-21(19,20)13-5-4-12(9-16)11(2)8-13/h3-8,17-18H,1-2H3
InChIKeyFARZVGSBZRRNEW-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.68
Rot. Bonds3

About 4-cyano-N-(2-hydroxy-5-methylphenyl)-3-methylbenzenesulfonamide

4-cyano-N-(2-hydroxy-5-methylphenyl)-3-methylbenzenesulfonamide (PubChem CID 106831820) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 4-cyano-N-(2-hydroxy-5-methylphenyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(2-hydroxy-5-methylphenyl)-3-methylbenzenesulfonamide
PubChem CID106831820
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name4-cyano-N-(2-hydroxy-5-methylphenyl)-3-methylbenzenesulfonamide
SMILESCc1ccc(O)c(NS(=O)(=O)c2ccc(C#N)c(C)c2)c1
InChIInChI=1S/C15H14N2O3S/c1-10-3-6-15(18)14(7-10)17-21(19,20)13-5-4-12(9-16)11(2)8-13/h3-8,17-18H,1-2H3
InChIKeyFARZVGSBZRRNEW-UHFFFAOYSA-N
XLogP2.68
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 4-cyano-N-(2-hydroxy-5-methylphenyl)-3-methylbenzenesulfonamide 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

N-(2-hydroxy-5-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 60918497
N-(3-chloro-4-hydroxyphenyl)-4-cyano-3-methylbenzenesulfonamide
CID 106831840
N-(5-bromo-2-methylphenyl)-4-cyano-3-methylbenzenesulfonamide
CID 106831795
4-cyano-N-(2-iodophenyl)-3-methylbenzenesulfonamide
CID 106831745
4-cyano-N-[2-(hydroxymethyl)phenyl]-3-methylbenzenesulfonamide
CID 106920475
4-cyano-N-(3-hydroxy-2-pyridinyl)-3-methylbenzenesulfonamide
CID 106920464
4-cyano-3-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 106831770
4-cyano-N,3-dimethylbenzenesulfonamide
CID 106832880
N-(4-bromo-2-chlorophenyl)-4-cyano-3-methylbenzenesulfonamide
CID 106831780
3-chloro-N-(2-chloro-4-methylphenyl)-4-cyanobenzenesulfonamide
CID 115588624
N-(2-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 43384594
3-fluoro-N-(2-hydroxy-5-methylphenyl)benzenesulfonamide
CID 54937318

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(2-hydroxy-5-methylphenyl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-cyano-N-(2-hydroxy-5-methylphenyl)-3-methylbenzenesulfonamide (CID 106831820) is 4-cyano-N-(2-hydroxy-5-methylphenyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(2-hydroxy-5-methylphenyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-cyano-N-(2-hydroxy-5-methylphenyl)-3-methylbenzenesulfonamide is Cc1ccc(O)c(NS(=O)(=O)c2ccc(C#N)c(C)c2)c1.
What is the InChIKey of 4-cyano-N-(2-hydroxy-5-methylphenyl)-3-methylbenzenesulfonamide?
The InChIKey is FARZVGSBZRRNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-10-3-6-15(18)14(7-10)17-21(19,20)13-5-4-12(9-16)11(2)8-13/h3-8,17-18H,1-2H3.
What are the key properties of 4-cyano-N-(2-hydroxy-5-methylphenyl)-3-methylbenzenesulfonamide?
4-cyano-N-(2-hydroxy-5-methylphenyl)-3-methylbenzenesulfonamide has a molecular weight of 302.36 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(2-hydroxy-5-methylphenyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 106831820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).