2-chloro-N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]benzamide

C15H13ClFNO3S — CID 71919701

IUPAC2-chloro-N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]benzamide
SMILESCS(=O)(=O)Cc1ccc(NC(=O)c2ccccc2Cl)cc1F
InChIInChI=1S/C15H13ClFNO3S/c1-22(20,21)9-10-6-7-11(8-14(10)17)18-15(19)12-4-2-3-5-13(12)16/h2-8H,9H2,1H3,(H,18,19)
InChIKeyMARXPLMLOHYNRN-UHFFFAOYSA-N
MW341.79 g/mol
LogP3.28
Rot. Bonds4

About 2-chloro-N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]benzamide

2-chloro-N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]benzamide (PubChem CID 71919701) has the molecular formula C15H13ClFNO3S and a molecular weight of 341.79 g/mol. Its IUPAC name is 2-chloro-N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]benzamide
PubChem CID71919701
Molecular FormulaC15H13ClFNO3S
Molecular Weight341.79 g/mol
Exact Mass341.03
IUPAC Name2-chloro-N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]benzamide
SMILESCS(=O)(=O)Cc1ccc(NC(=O)c2ccccc2Cl)cc1F
InChIInChI=1S/C15H13ClFNO3S/c1-22(20,21)9-10-6-7-11(8-14(10)17)18-15(19)12-4-2-3-5-13(12)16/h2-8H,9H2,1H3,(H,18,19)
InChIKeyMARXPLMLOHYNRN-UHFFFAOYSA-N
XLogP3.28
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]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-(3-acetyl-4-chlorophenyl)-2-chlorobenzamide
CID 22888926
N-(4-chloro-3-fluorophenyl)-2-(ethylamino)benzamide
CID 62177542
N-[4-[[3-chloro-4-(methanesulfonamido)phenyl]carbamothioylamino]phenyl]-2-fluorobenzamide
CID 15955499
N-(4-chloro-3-fluorophenyl)-2-iodobenzamide
CID 47227907
2-bromo-N-(4-chloro-3-fluorophenyl)benzamide
CID 47227901
N-(3-acetamidophenyl)-2-chlorobenzamide
CID 792012
2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide
CID 5119935
3-chloro-N-(3-fluoro-4-hydroxyphenyl)-2-methylbenzamide
CID 107097222
1-(2-chlorophenyl)-3-(4-ethyl-3-fluorophenyl)urea
CID 71013470
5-chloro-2-fluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide
CID 25487071
2-chloro-N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]benzamide
CID 7962908
N-(3-amino-4-methoxyphenyl)-2-chlorobenzamide
CID 23464385

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]benzamide (CID 71919701) is 2-chloro-N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]benzamide is CS(=O)(=O)Cc1ccc(NC(=O)c2ccccc2Cl)cc1F.
What is the InChIKey of 2-chloro-N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]benzamide?
The InChIKey is MARXPLMLOHYNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO3S/c1-22(20,21)9-10-6-7-11(8-14(10)17)18-15(19)12-4-2-3-5-13(12)16/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 2-chloro-N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]benzamide?
2-chloro-N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]benzamide has a molecular weight of 341.79 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]benzamide is sourced from PubChem (CID 71919701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).