N-(4-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide

C15H15FN2O3S — CID 19062500

IUPACN-(4-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(F)cc2)cc1NS(C)(=O)=O
InChIInChI=1S/C15H15FN2O3S/c1-10-3-4-11(9-14(10)18-22(2,20)21)15(19)17-13-7-5-12(16)6-8-13/h3-9,18H,1-2H3,(H,17,19)
InChIKeyKOABKGDCHWUWKO-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.76
Rot. Bonds4

About N-(4-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide

N-(4-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide (PubChem CID 19062500) has the molecular formula C15H15FN2O3S and a molecular weight of 322.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide
PubChem CID19062500
Molecular FormulaC15H15FN2O3S
Molecular Weight322.36 g/mol
Exact Mass322.08
IUPAC NameN-(4-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(F)cc2)cc1NS(C)(=O)=O
InChIInChI=1S/C15H15FN2O3S/c1-10-3-4-11(9-14(10)18-22(2,20)21)15(19)17-13-7-5-12(16)6-8-13/h3-9,18H,1-2H3,(H,17,19)
InChIKeyKOABKGDCHWUWKO-UHFFFAOYSA-N
XLogP2.76
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 41454864
N-(4-ethoxyphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 41465561
N-(4-fluorophenyl)-4-methyl-3-sulfamoylbenzamide
CID 9070427
4-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]benzoic acid
CID 146132998
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 19062512
N-(4-bromo-2-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 19062523
N-(5-chloro-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 41453282
3-(methanesulfonamido)-4-methyl-N-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide
CID 166231057
N-(4-acetamidophenyl)-4-chloro-3-(methanesulfonamido)benzamide
CID 49013931
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 19062515
N-(4-fluorophenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9416298
4-chloro-N-(4-fluorophenyl)-3-methylbenzamide
CID 122630273

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide?
The IUPAC name of N-(4-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide (CID 19062500) is N-(4-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide?
The canonical SMILES for N-(4-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1NS(C)(=O)=O.
What is the InChIKey of N-(4-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide?
The InChIKey is KOABKGDCHWUWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3S/c1-10-3-4-11(9-14(10)18-22(2,20)21)15(19)17-13-7-5-12(16)6-8-13/h3-9,18H,1-2H3,(H,17,19).
What are the key properties of N-(4-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide?
N-(4-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide has a molecular weight of 322.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide is sourced from PubChem (CID 19062500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).