2-chloro-4-methylsulfonyl-N-(2-phenylacetyl)benzamide

C16H14ClNO4S — CID 174982154

IUPAC2-chloro-4-methylsulfonyl-N-(2-phenylacetyl)benzamide
SMILESCS(=O)(=O)c1ccc(C(=O)NC(=O)Cc2ccccc2)c(Cl)c1
InChIInChI=1S/C16H14ClNO4S/c1-23(21,22)12-7-8-13(14(17)10-12)16(20)18-15(19)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,18,19,20)
InChIKeySSEXFVBPJYBCQS-UHFFFAOYSA-N
MW351.81 g/mol
LogP2.24
Rot. Bonds4

About 2-chloro-4-methylsulfonyl-N-(2-phenylacetyl)benzamide

2-chloro-4-methylsulfonyl-N-(2-phenylacetyl)benzamide (PubChem CID 174982154) has the molecular formula C16H14ClNO4S and a molecular weight of 351.81 g/mol. Its IUPAC name is 2-chloro-4-methylsulfonyl-N-(2-phenylacetyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-methylsulfonyl-N-(2-phenylacetyl)benzamide
PubChem CID174982154
Molecular FormulaC16H14ClNO4S
Molecular Weight351.81 g/mol
Exact Mass351.03
IUPAC Name2-chloro-4-methylsulfonyl-N-(2-phenylacetyl)benzamide
SMILESCS(=O)(=O)c1ccc(C(=O)NC(=O)Cc2ccccc2)c(Cl)c1
InChIInChI=1S/C16H14ClNO4S/c1-23(21,22)12-7-8-13(14(17)10-12)16(20)18-15(19)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,18,19,20)
InChIKeySSEXFVBPJYBCQS-UHFFFAOYSA-N
XLogP2.24
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.81
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-4-methylsulfonyl-N-(2-phenylacetyl)benzamide 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-benzyl-2-(4-methylsulfonylphenyl)acetamide
CID 110771278
(2-chloro-4-methylsulfonylphenyl)-(2-methylphenyl)methanone
CID 174297294
N-(3,5-dichloro-4-phenylphenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 123708136
2-chloro-N-(1-methylbenzimidazol-2-yl)-4-methylsulfonylbenzamide
CID 23938449
2-chloro-N-(4-chloro-3-iodophenyl)-4-methylsulfonylbenzamide
CID 121004678
4,5-dichloro-2-[(4-methylsulfonylphenyl)sulfonylamino]-N-(4-phenylbut-1-en-2-yl)benzamide
CID 166770400
2-chloro-4-methylsulfonyl-N-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzamide
CID 25261062
2-chloro-N-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-methylsulfonylbenzamide
CID 146146659
N-(2-chloro-5-methylsulfonylphenyl)benzamide
CID 8913636
2-chloro-4-methylsulfonyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 1486987
2-chloro-N-[2-(3-chlorophenyl)ethyl]-5-methylsulfonylbenzamide
CID 39730732
[2-(4-methylsulfonylanilino)-2-oxoethyl] 2,4-dichlorobenzoate
CID 41174699

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methylsulfonyl-N-(2-phenylacetyl)benzamide?
The IUPAC name of 2-chloro-4-methylsulfonyl-N-(2-phenylacetyl)benzamide (CID 174982154) is 2-chloro-4-methylsulfonyl-N-(2-phenylacetyl)benzamide.
What is the SMILES notation for 2-chloro-4-methylsulfonyl-N-(2-phenylacetyl)benzamide?
The canonical SMILES for 2-chloro-4-methylsulfonyl-N-(2-phenylacetyl)benzamide is CS(=O)(=O)c1ccc(C(=O)NC(=O)Cc2ccccc2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methylsulfonyl-N-(2-phenylacetyl)benzamide?
The InChIKey is SSEXFVBPJYBCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO4S/c1-23(21,22)12-7-8-13(14(17)10-12)16(20)18-15(19)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,18,19,20).
What are the key properties of 2-chloro-4-methylsulfonyl-N-(2-phenylacetyl)benzamide?
2-chloro-4-methylsulfonyl-N-(2-phenylacetyl)benzamide has a molecular weight of 351.81 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methylsulfonyl-N-(2-phenylacetyl)benzamide is sourced from PubChem (CID 174982154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).