N-(4-acetylphenyl)-3,5-difluorobenzenesulfonamide

C14H11F2NO3S — CID 51170160

IUPACN-(4-acetylphenyl)-3,5-difluorobenzenesulfonamide
SMILESCC(=O)c1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C14H11F2NO3S/c1-9(18)10-2-4-13(5-3-10)17-21(19,20)14-7-11(15)6-12(16)8-14/h2-8,17H,1H3
InChIKeyWDDDYWCCTZYIJJ-UHFFFAOYSA-N
MW311.31 g/mol
LogP2.97
Rot. Bonds4

About N-(4-acetylphenyl)-3,5-difluorobenzenesulfonamide

N-(4-acetylphenyl)-3,5-difluorobenzenesulfonamide (PubChem CID 51170160) has the molecular formula C14H11F2NO3S and a molecular weight of 311.31 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3,5-difluorobenzenesulfonamide
PubChem CID51170160
Molecular FormulaC14H11F2NO3S
Molecular Weight311.31 g/mol
Exact Mass311.04
IUPAC NameN-(4-acetylphenyl)-3,5-difluorobenzenesulfonamide
SMILESCC(=O)c1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C14H11F2NO3S/c1-9(18)10-2-4-13(5-3-10)17-21(19,20)14-7-11(15)6-12(16)8-14/h2-8,17H,1H3
InChIKeyWDDDYWCCTZYIJJ-UHFFFAOYSA-N
XLogP2.97
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,5-difluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24580816
N-tert-butyl-4-[(3,5-difluorophenyl)sulfonylamino]benzamide
CID 24663107
3,5-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide
CID 43604154
4-acetyl-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide
CID 64781477
3,5-difluoro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970283
4-acetyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3694127
N-(4-acetylphenyl)-5-fluorothiophene-2-sulfonamide
CID 91969494
4-acetyl-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 2108389
N-(4-amino-3-methylphenyl)-3,5-difluorobenzenesulfonamide
CID 43604849
N-(4-acetylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629409
4-[(4-acetylphenyl)sulfamoyl]thiophene-2-carboxamide
CID 6503881
4-[(4-fluorophenyl)sulfamoyl]benzoic acid
CID 2345459

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3,5-difluorobenzenesulfonamide?
The IUPAC name of N-(4-acetylphenyl)-3,5-difluorobenzenesulfonamide (CID 51170160) is N-(4-acetylphenyl)-3,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-(4-acetylphenyl)-3,5-difluorobenzenesulfonamide?
The canonical SMILES for N-(4-acetylphenyl)-3,5-difluorobenzenesulfonamide is CC(=O)c1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3,5-difluorobenzenesulfonamide?
The InChIKey is WDDDYWCCTZYIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO3S/c1-9(18)10-2-4-13(5-3-10)17-21(19,20)14-7-11(15)6-12(16)8-14/h2-8,17H,1H3.
What are the key properties of N-(4-acetylphenyl)-3,5-difluorobenzenesulfonamide?
N-(4-acetylphenyl)-3,5-difluorobenzenesulfonamide has a molecular weight of 311.31 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3,5-difluorobenzenesulfonamide is sourced from PubChem (CID 51170160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).