N-[(4-chlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide

C15H16ClNO2S — CID 19680628

IUPACN-[(4-chlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C15H16ClNO2S/c1-11-3-8-15(9-12(11)2)20(18,19)17-10-13-4-6-14(16)7-5-13/h3-9,17H,10H2,1-2H3
InChIKeyQZAPJIOJVIUVNW-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.44
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide

N-[(4-chlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide (PubChem CID 19680628) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide
PubChem CID19680628
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC NameN-[(4-chlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C15H16ClNO2S/c1-11-3-8-15(9-12(11)2)20(18,19)17-10-13-4-6-14(16)7-5-13/h3-9,17H,10H2,1-2H3
InChIKeyQZAPJIOJVIUVNW-UHFFFAOYSA-N
XLogP3.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-chlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide 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

3-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide
CID 106023385
N-[(4-chlorophenyl)methyl]-4-cyano-3-methylbenzenesulfonamide
CID 106832854
N-[(2,4-dichlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 19680727
4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 18131225
3-chloro-N-[(4-chlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37476599
3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 26945724
3-chloro-N-[(3-chloro-4-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 3673362
N-[(4-chlorophenyl)methyl]-4-iodobenzenesulfonamide
CID 5000374
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
3-chloro-4-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 24581072
N-[[4-(furan-3-yl)phenyl]methyl]-3,4-dimethylbenzenesulfonamide
CID 119103346
N-[2-(4-chlorophenyl)ethyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 2385556

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide (CID 19680628) is N-[(4-chlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1C.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is QZAPJIOJVIUVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-11-3-8-15(9-12(11)2)20(18,19)17-10-13-4-6-14(16)7-5-13/h3-9,17H,10H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide?
N-[(4-chlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 309.82 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 19680628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).