2-chloro-6-fluoro-N-[3-(methanesulfonamido)-4-methylphenyl]benzamide

C15H14ClFN2O3S — CID 2811607

IUPAC2-chloro-6-fluoro-N-[3-(methanesulfonamido)-4-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2c(F)cccc2Cl)cc1NS(C)(=O)=O
InChIInChI=1S/C15H14ClFN2O3S/c1-9-6-7-10(8-13(9)19-23(2,21)22)18-15(20)14-11(16)4-3-5-12(14)17/h3-8,19H,1-2H3,(H,18,20)
InChIKeyNLBNSFBLGVRCSG-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.41
Rot. Bonds4

About 2-chloro-6-fluoro-N-[3-(methanesulfonamido)-4-methylphenyl]benzamide

2-chloro-6-fluoro-N-[3-(methanesulfonamido)-4-methylphenyl]benzamide (PubChem CID 2811607) has the molecular formula C15H14ClFN2O3S and a molecular weight of 356.81 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[3-(methanesulfonamido)-4-methylphenyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[3-(methanesulfonamido)-4-methylphenyl]benzamide
PubChem CID2811607
Molecular FormulaC15H14ClFN2O3S
Molecular Weight356.81 g/mol
Exact Mass356.04
IUPAC Name2-chloro-6-fluoro-N-[3-(methanesulfonamido)-4-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2c(F)cccc2Cl)cc1NS(C)(=O)=O
InChIInChI=1S/C15H14ClFN2O3S/c1-9-6-7-10(8-13(9)19-23(2,21)22)18-15(20)14-11(16)4-3-5-12(14)17/h3-8,19H,1-2H3,(H,18,20)
InChIKeyNLBNSFBLGVRCSG-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793467
2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 26085744
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,6-difluorobenzamide
CID 36772113
2-chloro-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide
CID 166404140
5-chloro-2-fluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide
CID 25487071
2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-6-fluorobenzamide
CID 36717455
N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloro-6-fluorobenzamide
CID 103274912
2-chloro-6-fluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 2086523
N-[4-(aminomethyl)-3-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-2-chloro-6-fluorobenzamide
CID 90088421
2-chloro-6-fluoro-N-(4-iodo-2-methylphenyl)benzamide
CID 47099671
2-chloro-6-fluoro-N-pyridin-4-ylbenzamide
CID 25236808
2,6-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64794940

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[3-(methanesulfonamido)-4-methylphenyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[3-(methanesulfonamido)-4-methylphenyl]benzamide (CID 2811607) is 2-chloro-6-fluoro-N-[3-(methanesulfonamido)-4-methylphenyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[3-(methanesulfonamido)-4-methylphenyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[3-(methanesulfonamido)-4-methylphenyl]benzamide is Cc1ccc(NC(=O)c2c(F)cccc2Cl)cc1NS(C)(=O)=O.
What is the InChIKey of 2-chloro-6-fluoro-N-[3-(methanesulfonamido)-4-methylphenyl]benzamide?
The InChIKey is NLBNSFBLGVRCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O3S/c1-9-6-7-10(8-13(9)19-23(2,21)22)18-15(20)14-11(16)4-3-5-12(14)17/h3-8,19H,1-2H3,(H,18,20).
What are the key properties of 2-chloro-6-fluoro-N-[3-(methanesulfonamido)-4-methylphenyl]benzamide?
2-chloro-6-fluoro-N-[3-(methanesulfonamido)-4-methylphenyl]benzamide has a molecular weight of 356.81 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[3-(methanesulfonamido)-4-methylphenyl]benzamide is sourced from PubChem (CID 2811607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).