N-(5-acetyl-2-methylphenyl)-1-(4-fluorophenyl)methanesulfonamide

C16H16FNO3S — CID 110604130

IUPACN-(5-acetyl-2-methylphenyl)-1-(4-fluorophenyl)methanesulfonamide
SMILESCC(=O)c1ccc(C)c(NS(=O)(=O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C16H16FNO3S/c1-11-3-6-14(12(2)19)9-16(11)18-22(20,21)10-13-4-7-15(17)8-5-13/h3-9,18H,10H2,1-2H3
InChIKeyLCULHOIJXQFSAU-UHFFFAOYSA-N
MW321.37 g/mol
LogP3.28
Rot. Bonds5

About N-(5-acetyl-2-methylphenyl)-1-(4-fluorophenyl)methanesulfonamide

N-(5-acetyl-2-methylphenyl)-1-(4-fluorophenyl)methanesulfonamide (PubChem CID 110604130) has the molecular formula C16H16FNO3S and a molecular weight of 321.37 g/mol. Its IUPAC name is N-(5-acetyl-2-methylphenyl)-1-(4-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-acetyl-2-methylphenyl)-1-(4-fluorophenyl)methanesulfonamide
PubChem CID110604130
Molecular FormulaC16H16FNO3S
Molecular Weight321.37 g/mol
Exact Mass321.08
IUPAC NameN-(5-acetyl-2-methylphenyl)-1-(4-fluorophenyl)methanesulfonamide
SMILESCC(=O)c1ccc(C)c(NS(=O)(=O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C16H16FNO3S/c1-11-3-6-14(12(2)19)9-16(11)18-22(20,21)10-13-4-7-15(17)8-5-13/h3-9,18H,10H2,1-2H3
InChIKeyLCULHOIJXQFSAU-UHFFFAOYSA-N
XLogP3.28
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(ethylsulfamoylamino)-4-methylphenyl]ethanone
CID 110612637
methyl 4-[(2,4-difluorophenyl)sulfamoylmethyl]benzoate
CID 92681454
3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoic acid
CID 2341479
N-(4-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 19062500
N-(5-acetyl-2-methylphenyl)-5-(4-fluorophenyl)-5-oxopentanamide
CID 110618430
3-(carboxymethylsulfonylamino)-4-methylbenzoic acid
CID 43715539
N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide
CID 110779627
methyl 3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoate
CID 807062
methyl 3-(ethylsulfonylamino)-4-methylbenzoate
CID 6466185
1-(4-fluorophenyl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)methanesulfonamide
CID 122285383
2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetic acid
CID 11703116
N-(5-chloro-2-methylphenyl)-1-phenylmethanesulfonamide
CID 788792

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-methylphenyl)-1-(4-fluorophenyl)methanesulfonamide?
The IUPAC name of N-(5-acetyl-2-methylphenyl)-1-(4-fluorophenyl)methanesulfonamide (CID 110604130) is N-(5-acetyl-2-methylphenyl)-1-(4-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-(5-acetyl-2-methylphenyl)-1-(4-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-(5-acetyl-2-methylphenyl)-1-(4-fluorophenyl)methanesulfonamide is CC(=O)c1ccc(C)c(NS(=O)(=O)Cc2ccc(F)cc2)c1.
What is the InChIKey of N-(5-acetyl-2-methylphenyl)-1-(4-fluorophenyl)methanesulfonamide?
The InChIKey is LCULHOIJXQFSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3S/c1-11-3-6-14(12(2)19)9-16(11)18-22(20,21)10-13-4-7-15(17)8-5-13/h3-9,18H,10H2,1-2H3.
What are the key properties of N-(5-acetyl-2-methylphenyl)-1-(4-fluorophenyl)methanesulfonamide?
N-(5-acetyl-2-methylphenyl)-1-(4-fluorophenyl)methanesulfonamide has a molecular weight of 321.37 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-methylphenyl)-1-(4-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 110604130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).