N-[(3-chloro-2-methylphenyl)methyl]-4-methylbenzenesulfonamide

C15H16ClNO2S — CID 58009712

IUPACN-[(3-chloro-2-methylphenyl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cccc(Cl)c2C)cc1
InChIInChI=1S/C15H16ClNO2S/c1-11-6-8-14(9-7-11)20(18,19)17-10-13-4-3-5-15(16)12(13)2/h3-9,17H,10H2,1-2H3
InChIKeyBQXBUFPYHHWIFX-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.44
Rot. Bonds4

About N-[(3-chloro-2-methylphenyl)methyl]-4-methylbenzenesulfonamide

N-[(3-chloro-2-methylphenyl)methyl]-4-methylbenzenesulfonamide (PubChem CID 58009712) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is N-[(3-chloro-2-methylphenyl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3-chloro-2-methylphenyl)methyl]-4-methylbenzenesulfonamide
PubChem CID58009712
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC NameN-[(3-chloro-2-methylphenyl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cccc(Cl)c2C)cc1
InChIInChI=1S/C15H16ClNO2S/c1-11-6-8-14(9-7-11)20(18,19)17-10-13-4-3-5-15(16)12(13)2/h3-9,17H,10H2,1-2H3
InChIKeyBQXBUFPYHHWIFX-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-[(3-chloro-2-methylphenyl)methyl]-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

4-N-[(2-chlorophenyl)methyl]-1-N-methylbenzene-1,4-disulfonamide
CID 58188904
4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 2492101
N-[(2-chloro-4-fluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 3835603
N-(3-chloro-2-methylphenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 21383212
N-[(3,6-dichloropyridazin-4-yl)methyl]-4-methylbenzenesulfonamide
CID 11771905
N-[(2,3-dimethylphenyl)methyl]-4-methoxybenzenesulfonamide
CID 3830787
2,3-dichloro-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
CID 8500668
N-[[3-(chloromethyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 65032501
N-[(2-chlorophenyl)methyl]-4-(difluoromethyl)benzenesulfonamide
CID 53497721
3-amino-5-chloro-N-[(2-chlorophenyl)methyl]-4-methylbenzenesulfonamide
CID 29297863
N-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106058600
4-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
CID 17416351

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-methylphenyl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(3-chloro-2-methylphenyl)methyl]-4-methylbenzenesulfonamide (CID 58009712) is N-[(3-chloro-2-methylphenyl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(3-chloro-2-methylphenyl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(3-chloro-2-methylphenyl)methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2cccc(Cl)c2C)cc1.
What is the InChIKey of N-[(3-chloro-2-methylphenyl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is BQXBUFPYHHWIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-11-6-8-14(9-7-11)20(18,19)17-10-13-4-3-5-15(16)12(13)2/h3-9,17H,10H2,1-2H3.
What are the key properties of N-[(3-chloro-2-methylphenyl)methyl]-4-methylbenzenesulfonamide?
N-[(3-chloro-2-methylphenyl)methyl]-4-methylbenzenesulfonamide 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-[(3-chloro-2-methylphenyl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 58009712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).