N-[4-(4-chlorophenyl)-2-cyanophenyl]-4-methylbenzenesulfonamide

C20H15ClN2O2S — CID 169373249

IUPACN-[4-(4-chlorophenyl)-2-cyanophenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(Cl)cc3)cc2C#N)cc1
InChIInChI=1S/C20H15ClN2O2S/c1-14-2-9-19(10-3-14)26(24,25)23-20-11-6-16(12-17(20)13-22)15-4-7-18(21)8-5-15/h2-12,23H,1H3
InChIKeyUWRMVCGBMAFGMP-UHFFFAOYSA-N
MW382.87 g/mol
LogP4.99
Rot. Bonds4

About N-[4-(4-chlorophenyl)-2-cyanophenyl]-4-methylbenzenesulfonamide

N-[4-(4-chlorophenyl)-2-cyanophenyl]-4-methylbenzenesulfonamide (PubChem CID 169373249) has the molecular formula C20H15ClN2O2S and a molecular weight of 382.87 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-2-cyanophenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-2-cyanophenyl]-4-methylbenzenesulfonamide
PubChem CID169373249
Molecular FormulaC20H15ClN2O2S
Molecular Weight382.87 g/mol
Exact Mass382.05
IUPAC NameN-[4-(4-chlorophenyl)-2-cyanophenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(Cl)cc3)cc2C#N)cc1
InChIInChI=1S/C20H15ClN2O2S/c1-14-2-9-19(10-3-14)26(24,25)23-20-11-6-16(12-17(20)13-22)15-4-7-18(21)8-5-15/h2-12,23H,1H3
InChIKeyUWRMVCGBMAFGMP-UHFFFAOYSA-N
XLogP4.99
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(4-chlorophenyl)-2-cyanophenyl]-4-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-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]-4-methylbenzenesulfonamide
CID 2796859
N-(2-ethynyl-4-phenylphenyl)-4-methylbenzenesulfonamide
CID 169225924
N-(2,4-dichloro-6-cyanophenyl)-4-methylbenzenesulfonamide
CID 169369950
N-(5-bromo-2-cyano-4-fluorophenyl)-4-methylbenzenesulfonamide
CID 169373336
3-chloro-N-(2-chloro-4-methylphenyl)-4-cyanobenzenesulfonamide
CID 115588624
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
N-[4-chloro-2-(chloromethyl)phenyl]-4-methylbenzenesulfonamide
CID 163288986
N-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-methylbenzenesulfonamide
CID 169370059
4-chloro-3-cyano-N-(2-fluoro-5-phenylphenyl)benzenesulfonamide
CID 146600936
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 3761633
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
4-chloro-N-(2-chloro-4-nitrophenyl)benzenesulfonamide
CID 2796797

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-2-cyanophenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-(4-chlorophenyl)-2-cyanophenyl]-4-methylbenzenesulfonamide (CID 169373249) is N-[4-(4-chlorophenyl)-2-cyanophenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-2-cyanophenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-2-cyanophenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(Cl)cc3)cc2C#N)cc1.
What is the InChIKey of N-[4-(4-chlorophenyl)-2-cyanophenyl]-4-methylbenzenesulfonamide?
The InChIKey is UWRMVCGBMAFGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O2S/c1-14-2-9-19(10-3-14)26(24,25)23-20-11-6-16(12-17(20)13-22)15-4-7-18(21)8-5-15/h2-12,23H,1H3.
What are the key properties of N-[4-(4-chlorophenyl)-2-cyanophenyl]-4-methylbenzenesulfonamide?
N-[4-(4-chlorophenyl)-2-cyanophenyl]-4-methylbenzenesulfonamide has a molecular weight of 382.87 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-2-cyanophenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 169373249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).