N-(3-acetylphenyl)-2,4-difluorobenzenesulfonamide

C14H11F2NO3S — CID 3836234

IUPACN-(3-acetylphenyl)-2,4-difluorobenzenesulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2ccc(F)cc2F)c1
InChIInChI=1S/C14H11F2NO3S/c1-9(18)10-3-2-4-12(7-10)17-21(19,20)14-6-5-11(15)8-13(14)16/h2-8,17H,1H3
InChIKeySNZVFPZICAPUIP-UHFFFAOYSA-N
MW311.31 g/mol
LogP2.97
Rot. Bonds4

About N-(3-acetylphenyl)-2,4-difluorobenzenesulfonamide

N-(3-acetylphenyl)-2,4-difluorobenzenesulfonamide (PubChem CID 3836234) has the molecular formula C14H11F2NO3S and a molecular weight of 311.31 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2,4-difluorobenzenesulfonamide
PubChem CID3836234
Molecular FormulaC14H11F2NO3S
Molecular Weight311.31 g/mol
Exact Mass311.04
IUPAC NameN-(3-acetylphenyl)-2,4-difluorobenzenesulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2ccc(F)cc2F)c1
InChIInChI=1S/C14H11F2NO3S/c1-9(18)10-3-2-4-12(7-10)17-21(19,20)14-6-5-11(15)8-13(14)16/h2-8,17H,1H3
InChIKeySNZVFPZICAPUIP-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

N-(3-acetylphenyl)-2,6-difluorobenzenesulfonamide
CID 3836983
3-[(2-amino-4-fluorophenyl)sulfonylamino]benzamide
CID 61105800
N-[5-[(2,4-difluorophenyl)sulfonylamino]-2-fluorophenyl]acetamide
CID 134017686
N-(3-acetylphenyl)-3-fluoropyridine-2-sulfonamide
CID 103299384
3-[(2-amino-5-fluorophenyl)sulfonylamino]benzamide
CID 61107352
N-(3-acetylphenyl)-2,5-dimethylthiophene-3-sulfonamide
CID 39769709
(3-acetylphenyl)sulfamic acid
CID 12629151
N-(3-acetylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 95969889
2,4-difluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide
CID 31073462
4-bromo-2-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 53240323
3-[(2-chloro-4-fluorophenyl)sulfonylamino]-N,N-diethylbenzamide
CID 134040441
[3-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]urea
CID 36510536

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-(3-acetylphenyl)-2,4-difluorobenzenesulfonamide (CID 3836234) is N-(3-acetylphenyl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(3-acetylphenyl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(3-acetylphenyl)-2,4-difluorobenzenesulfonamide is CC(=O)c1cccc(NS(=O)(=O)c2ccc(F)cc2F)c1.
What is the InChIKey of N-(3-acetylphenyl)-2,4-difluorobenzenesulfonamide?
The InChIKey is SNZVFPZICAPUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO3S/c1-9(18)10-3-2-4-12(7-10)17-21(19,20)14-6-5-11(15)8-13(14)16/h2-8,17H,1H3.
What are the key properties of N-(3-acetylphenyl)-2,4-difluorobenzenesulfonamide?
N-(3-acetylphenyl)-2,4-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-(3-acetylphenyl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 3836234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).