4-chloro-N-(4-fluoro-2-methylphenyl)-3-methylsulfonylbenzamide

C15H13ClFNO3S — CID 26886366

IUPAC4-chloro-N-(4-fluoro-2-methylphenyl)-3-methylsulfonylbenzamide
SMILESCc1cc(F)ccc1NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1
InChIInChI=1S/C15H13ClFNO3S/c1-9-7-11(17)4-6-13(9)18-15(19)10-3-5-12(16)14(8-10)22(2,20)21/h3-8H,1-2H3,(H,18,19)
InChIKeyJAGYTLMPCQPENN-UHFFFAOYSA-N
MW341.79 g/mol
LogP3.44
Rot. Bonds3

About 4-chloro-N-(4-fluoro-2-methylphenyl)-3-methylsulfonylbenzamide

4-chloro-N-(4-fluoro-2-methylphenyl)-3-methylsulfonylbenzamide (PubChem CID 26886366) has the molecular formula C15H13ClFNO3S and a molecular weight of 341.79 g/mol. Its IUPAC name is 4-chloro-N-(4-fluoro-2-methylphenyl)-3-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(4-fluoro-2-methylphenyl)-3-methylsulfonylbenzamide
PubChem CID26886366
Molecular FormulaC15H13ClFNO3S
Molecular Weight341.79 g/mol
Exact Mass341.03
IUPAC Name4-chloro-N-(4-fluoro-2-methylphenyl)-3-methylsulfonylbenzamide
SMILESCc1cc(F)ccc1NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1
InChIInChI=1S/C15H13ClFNO3S/c1-9-7-11(17)4-6-13(9)18-15(19)10-3-5-12(16)14(8-10)22(2,20)21/h3-8H,1-2H3,(H,18,19)
InChIKeyJAGYTLMPCQPENN-UHFFFAOYSA-N
XLogP3.44
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-chlorophenyl)-4-chloro-3-methylsulfonylbenzamide
CID 26239627
methyl 2-[4-[(4-chloro-3-methylsulfonylbenzoyl)amino]-3-methylphenoxy]acetate
CID 55916102
4-chloro-N-(2,6-dimethylphenyl)-3-methylsulfonylbenzamide
CID 26894430
4-amino-N-(4-fluoro-2-methylphenyl)benzamide
CID 16781461
4-chloro-N-(2,6-difluorophenyl)-3-methylsulfonylbenzamide
CID 51158895
3-(tert-butylsulfamoyl)-4-chloro-N-(2,4-difluorophenyl)benzamide
CID 34827235
N-(4-fluoro-2-methylphenyl)-4-iodobenzamide
CID 7980558
4-chloro-N-(2-chloro-4-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26693077
4-bromo-N-(2-chloro-4-fluorophenyl)-3-methylbenzamide
CID 112705655
2-chloro-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 6468797
4-chloro-N-(4-methyl-1H-pyrazol-5-yl)-3-methylsulfonylbenzamide
CID 115629937
N-(4-bromo-3-methylphenyl)-4-chloro-3-methylsulfonylbenzamide
CID 26691813

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-fluoro-2-methylphenyl)-3-methylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-(4-fluoro-2-methylphenyl)-3-methylsulfonylbenzamide (CID 26886366) is 4-chloro-N-(4-fluoro-2-methylphenyl)-3-methylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-(4-fluoro-2-methylphenyl)-3-methylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-(4-fluoro-2-methylphenyl)-3-methylsulfonylbenzamide is Cc1cc(F)ccc1NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1.
What is the InChIKey of 4-chloro-N-(4-fluoro-2-methylphenyl)-3-methylsulfonylbenzamide?
The InChIKey is JAGYTLMPCQPENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO3S/c1-9-7-11(17)4-6-13(9)18-15(19)10-3-5-12(16)14(8-10)22(2,20)21/h3-8H,1-2H3,(H,18,19).
What are the key properties of 4-chloro-N-(4-fluoro-2-methylphenyl)-3-methylsulfonylbenzamide?
4-chloro-N-(4-fluoro-2-methylphenyl)-3-methylsulfonylbenzamide has a molecular weight of 341.79 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-fluoro-2-methylphenyl)-3-methylsulfonylbenzamide is sourced from PubChem (CID 26886366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).