4-cyano-N-(3,4-dichlorophenyl)-3-methylbenzenesulfonamide

C14H10Cl2N2O2S — CID 106919707

IUPAC4-cyano-N-(3,4-dichlorophenyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)ccc1C#N
InChIInChI=1S/C14H10Cl2N2O2S/c1-9-6-12(4-2-10(9)8-17)21(19,20)18-11-3-5-13(15)14(16)7-11/h2-7,18H,1H3
InChIKeyGKZZEEGMEGWCLH-UHFFFAOYSA-N
MW341.22 g/mol
LogP3.97
Rot. Bonds3

About 4-cyano-N-(3,4-dichlorophenyl)-3-methylbenzenesulfonamide

4-cyano-N-(3,4-dichlorophenyl)-3-methylbenzenesulfonamide (PubChem CID 106919707) has the molecular formula C14H10Cl2N2O2S and a molecular weight of 341.22 g/mol. Its IUPAC name is 4-cyano-N-(3,4-dichlorophenyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(3,4-dichlorophenyl)-3-methylbenzenesulfonamide
PubChem CID106919707
Molecular FormulaC14H10Cl2N2O2S
Molecular Weight341.22 g/mol
Exact Mass339.98
IUPAC Name4-cyano-N-(3,4-dichlorophenyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)ccc1C#N
InChIInChI=1S/C14H10Cl2N2O2S/c1-9-6-12(4-2-10(9)8-17)21(19,20)18-11-3-5-13(15)14(16)7-11/h2-7,18H,1H3
InChIKeyGKZZEEGMEGWCLH-UHFFFAOYSA-N
XLogP3.97
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.22
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-cyano-N-(3,4-dichlorophenyl)-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-(3-chloro-4-hydroxyphenyl)-4-cyano-3-methylbenzenesulfonamide
CID 106831840
3-chloro-4-cyano-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 115588612
4-chloro-N-(3-chloro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 16644802
N-(4-bromo-2-chlorophenyl)-4-cyano-3-methylbenzenesulfonamide
CID 106831780
N-(2-chloro-6-fluorophenyl)-4-cyano-3-methylbenzenesulfonamide
CID 106919890
6-chloro-N-(3-chloro-4-cyanophenyl)pyridine-3-sulfonamide
CID 43236398
4-cyano-N,3-dimethylbenzenesulfonamide
CID 106832880
4-cyano-N-(4-cyano-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide
CID 106919695
2-chloro-N-(4-chloro-3-cyanophenyl)pyrimidine-5-sulfonamide
CID 61053173
N-(5-bromo-2-methylphenyl)-4-cyano-3-methylbenzenesulfonamide
CID 106831795
4-cyano-N-(2-iodophenyl)-3-methylbenzenesulfonamide
CID 106831745
4-cyano-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 106919709

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(3,4-dichlorophenyl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-cyano-N-(3,4-dichlorophenyl)-3-methylbenzenesulfonamide (CID 106919707) is 4-cyano-N-(3,4-dichlorophenyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(3,4-dichlorophenyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-cyano-N-(3,4-dichlorophenyl)-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)ccc1C#N.
What is the InChIKey of 4-cyano-N-(3,4-dichlorophenyl)-3-methylbenzenesulfonamide?
The InChIKey is GKZZEEGMEGWCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O2S/c1-9-6-12(4-2-10(9)8-17)21(19,20)18-11-3-5-13(15)14(16)7-11/h2-7,18H,1H3.
What are the key properties of 4-cyano-N-(3,4-dichlorophenyl)-3-methylbenzenesulfonamide?
4-cyano-N-(3,4-dichlorophenyl)-3-methylbenzenesulfonamide has a molecular weight of 341.22 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(3,4-dichlorophenyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 106919707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).