4-chloro-3-[(5-fluoro-2-methylphenyl)sulfonylamino]-N-methylbenzamide

C15H14ClFN2O3S — CID 87027257

IUPAC4-chloro-3-[(5-fluoro-2-methylphenyl)sulfonylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cc(F)ccc2C)c1
InChIInChI=1S/C15H14ClFN2O3S/c1-9-3-5-11(17)8-14(9)23(21,22)19-13-7-10(15(20)18-2)4-6-12(13)16/h3-8,19H,1-2H3,(H,18,20)
InChIKeyXLLDMYBQHUOOSB-UHFFFAOYSA-N
MW356.81 g/mol
LogP2.95
Rot. Bonds4

About 4-chloro-3-[(5-fluoro-2-methylphenyl)sulfonylamino]-N-methylbenzamide

4-chloro-3-[(5-fluoro-2-methylphenyl)sulfonylamino]-N-methylbenzamide (PubChem CID 87027257) has the molecular formula C15H14ClFN2O3S and a molecular weight of 356.81 g/mol. Its IUPAC name is 4-chloro-3-[(5-fluoro-2-methylphenyl)sulfonylamino]-N-methylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[(5-fluoro-2-methylphenyl)sulfonylamino]-N-methylbenzamide
PubChem CID87027257
Molecular FormulaC15H14ClFN2O3S
Molecular Weight356.81 g/mol
Exact Mass356.04
IUPAC Name4-chloro-3-[(5-fluoro-2-methylphenyl)sulfonylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cc(F)ccc2C)c1
InChIInChI=1S/C15H14ClFN2O3S/c1-9-3-5-11(17)8-14(9)23(21,22)19-13-7-10(15(20)18-2)4-6-12(13)16/h3-8,19H,1-2H3,(H,18,20)
InChIKeyXLLDMYBQHUOOSB-UHFFFAOYSA-N
XLogP2.95
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]-N-methylbenzamide
CID 87027249
N-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 47308992
4-chloro-3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 39000293
N,4-dimethyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 3581351
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-methylbenzamide
CID 3680171
N-(3,5-dichloro-4-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 82880647
5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 47309539
3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-fluoro-2-methylphenyl)-4-methylbenzamide
CID 2085572
N-(5-chloro-2-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43344384
N,4-dimethyl-3-(phenylsulfamoyl)benzamide
CID 3894784
4-chloro-3-[(2-methylphenyl)sulfonylamino]benzamide
CID 62999668
4-chloro-3-[(3-fluoro-4-methylphenyl)methylamino]-N-methylbenzamide
CID 63646037

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(5-fluoro-2-methylphenyl)sulfonylamino]-N-methylbenzamide?
The IUPAC name of 4-chloro-3-[(5-fluoro-2-methylphenyl)sulfonylamino]-N-methylbenzamide (CID 87027257) is 4-chloro-3-[(5-fluoro-2-methylphenyl)sulfonylamino]-N-methylbenzamide.
What is the SMILES notation for 4-chloro-3-[(5-fluoro-2-methylphenyl)sulfonylamino]-N-methylbenzamide?
The canonical SMILES for 4-chloro-3-[(5-fluoro-2-methylphenyl)sulfonylamino]-N-methylbenzamide is CNC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cc(F)ccc2C)c1.
What is the InChIKey of 4-chloro-3-[(5-fluoro-2-methylphenyl)sulfonylamino]-N-methylbenzamide?
The InChIKey is XLLDMYBQHUOOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O3S/c1-9-3-5-11(17)8-14(9)23(21,22)19-13-7-10(15(20)18-2)4-6-12(13)16/h3-8,19H,1-2H3,(H,18,20).
What are the key properties of 4-chloro-3-[(5-fluoro-2-methylphenyl)sulfonylamino]-N-methylbenzamide?
4-chloro-3-[(5-fluoro-2-methylphenyl)sulfonylamino]-N-methylbenzamide has a molecular weight of 356.81 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(5-fluoro-2-methylphenyl)sulfonylamino]-N-methylbenzamide is sourced from PubChem (CID 87027257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).