N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylsulfonylbenzamide

C16H16ClNO4S — CID 2668918

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-3-methylsulfonylbenzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C16H16ClNO4S/c1-10-7-14(15(22-2)9-13(10)17)18-16(19)11-5-4-6-12(8-11)23(3,20)21/h4-9H,1-3H3,(H,18,19)
InChIKeyJYKAILPVTRYTCN-UHFFFAOYSA-N
MW353.83 g/mol
LogP3.31
Rot. Bonds4

About N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylsulfonylbenzamide

N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylsulfonylbenzamide (PubChem CID 2668918) has the molecular formula C16H16ClNO4S and a molecular weight of 353.83 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-methylsulfonylbenzamide
PubChem CID2668918
Molecular FormulaC16H16ClNO4S
Molecular Weight353.83 g/mol
Exact Mass353.05
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-methylsulfonylbenzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C16H16ClNO4S/c1-10-7-14(15(22-2)9-13(10)17)18-16(19)11-5-4-6-12(8-11)23(3,20)21/h4-9H,1-3H3,(H,18,19)
InChIKeyJYKAILPVTRYTCN-UHFFFAOYSA-N
XLogP3.31
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylsulfonylbenzamide 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-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 46581552
1-N-(4-chloro-2-methoxy-5-methylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050654
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide
CID 9083792
N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylbenzamide
CID 2107284
N-(4-chloro-2-methoxy-5-methylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 4783224
methyl 3-[(4-chloro-2-methoxy-5-methylphenyl)sulfamoyl]benzoate
CID 31700482
ethyl N-[3-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl]carbamate
CID 9270970
N-(4-chloro-2-methoxy-5-methylphenyl)-2,6-dihydroxybenzamide
CID 107688924
N-(4-chloro-2-methoxy-5-methylphenyl)-4-iodobenzamide
CID 1297130
N-(4-chloro-2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 26620643
N-(4-chloro-2-methoxy-5-methylphenyl)-4-(difluoromethylsulfonyl)benzamide
CID 2668895
3-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide
CID 81456873

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylsulfonylbenzamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylsulfonylbenzamide (CID 2668918) is N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylsulfonylbenzamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylsulfonylbenzamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylsulfonylbenzamide is COc1cc(Cl)c(C)cc1NC(=O)c1cccc(S(C)(=O)=O)c1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylsulfonylbenzamide?
The InChIKey is JYKAILPVTRYTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO4S/c1-10-7-14(15(22-2)9-13(10)17)18-16(19)11-5-4-6-12(8-11)23(3,20)21/h4-9H,1-3H3,(H,18,19).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylsulfonylbenzamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylsulfonylbenzamide has a molecular weight of 353.83 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylsulfonylbenzamide is sourced from PubChem (CID 2668918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).