N-(5-chloro-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide

C16H17ClN2O3S — CID 41453282

IUPACN-(5-chloro-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1
InChIInChI=1S/C16H17ClN2O3S/c1-10-5-7-13(17)9-14(10)18-16(20)12-6-4-11(2)15(8-12)19-23(3,21)22/h4-9,19H,1-3H3,(H,18,20)
InChIKeyBEIJAOAQWXCSGH-UHFFFAOYSA-N
MW352.84 g/mol
LogP3.58
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide

N-(5-chloro-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide (PubChem CID 41453282) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide
PubChem CID41453282
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC NameN-(5-chloro-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1
InChIInChI=1S/C16H17ClN2O3S/c1-10-5-7-13(17)9-14(10)18-16(20)12-6-4-11(2)15(8-12)19-23(3,21)22/h4-9,19H,1-3H3,(H,18,20)
InChIKeyBEIJAOAQWXCSGH-UHFFFAOYSA-N
XLogP3.58
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(5-chloro-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide 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-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid
CID 43386540
N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 41454864
N-(4-bromo-2-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 19062523
N-(5-chloro-2-methylphenyl)-3,5-dimethylbenzamide
CID 918666
3-(methanesulfonamido)-4-methyl-N-(3-methyl-4-pyridinyl)benzamide
CID 56803470
N-(5-chloro-2-methylphenyl)-3-methylbenzamide
CID 686530
N-(4-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 19062500
N-(5-chloro-2-methylphenyl)-4-(difluoromethylsulfonyl)benzamide
CID 8502246
4-(tert-butylsulfamoyl)-N-(5-chloro-2-methylphenyl)benzamide
CID 29411178
4-chloro-3-(methanesulfonamido)-N-(2,4,6-trimethylphenyl)benzamide
CID 100786334
N-(4-chloro-2-methylphenyl)-3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 3361806
4-amino-3,5-dichloro-N-(5-chloro-2-methylphenyl)benzamide
CID 82833124

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide (CID 41453282) is N-(5-chloro-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide is Cc1ccc(Cl)cc1NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide?
The InChIKey is BEIJAOAQWXCSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-10-5-7-13(17)9-14(10)18-16(20)12-6-4-11(2)15(8-12)19-23(3,21)22/h4-9,19H,1-3H3,(H,18,20).
What are the key properties of N-(5-chloro-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide?
N-(5-chloro-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide has a molecular weight of 352.84 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide is sourced from PubChem (CID 41453282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).