N-(3-acetylphenyl)-2,6-difluorobenzenesulfonamide

C14H11F2NO3S — CID 3836983

IUPACN-(3-acetylphenyl)-2,6-difluorobenzenesulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1
InChIInChI=1S/C14H11F2NO3S/c1-9(18)10-4-2-5-11(8-10)17-21(19,20)14-12(15)6-3-7-13(14)16/h2-8,17H,1H3
InChIKeyUPGMJODIZBORLJ-UHFFFAOYSA-N
MW311.31 g/mol
LogP2.97
Rot. Bonds4

About N-(3-acetylphenyl)-2,6-difluorobenzenesulfonamide

N-(3-acetylphenyl)-2,6-difluorobenzenesulfonamide (PubChem CID 3836983) has the molecular formula C14H11F2NO3S and a molecular weight of 311.31 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2,6-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2,6-difluorobenzenesulfonamide
PubChem CID3836983
Molecular FormulaC14H11F2NO3S
Molecular Weight311.31 g/mol
Exact Mass311.04
IUPAC NameN-(3-acetylphenyl)-2,6-difluorobenzenesulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1
InChIInChI=1S/C14H11F2NO3S/c1-9(18)10-4-2-5-11(8-10)17-21(19,20)14-12(15)6-3-7-13(14)16/h2-8,17H,1H3
InChIKeyUPGMJODIZBORLJ-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)-3-fluoropyridine-2-sulfonamide
CID 103299384
N-(3-acetylphenyl)-2,4-difluorobenzenesulfonamide
CID 3836234
2,6-difluoro-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide
CID 35540385
(3-acetylphenyl)sulfamic acid
CID 12629151
3-[2-[3-[(2,6-difluorophenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68689417
4-[(2,6-difluorophenyl)sulfonylamino]benzamide
CID 4880807
N-[3-[(2,6-difluorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35541103
N-(3-acetylphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 53075839
3-acetyl-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62813585
N-(3,4-dimethylphenyl)-2,6-difluorobenzenesulfonamide
CID 4793269
methyl 5-[(2,6-difluorophenyl)sulfonylamino]-2-fluorobenzoate
CID 33490699
N-(3-acetylphenyl)-3,4-dichlorobenzenesulfonamide
CID 3702970

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2,6-difluorobenzenesulfonamide?
The IUPAC name of N-(3-acetylphenyl)-2,6-difluorobenzenesulfonamide (CID 3836983) is N-(3-acetylphenyl)-2,6-difluorobenzenesulfonamide.
What is the SMILES notation for N-(3-acetylphenyl)-2,6-difluorobenzenesulfonamide?
The canonical SMILES for N-(3-acetylphenyl)-2,6-difluorobenzenesulfonamide is CC(=O)c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1.
What is the InChIKey of N-(3-acetylphenyl)-2,6-difluorobenzenesulfonamide?
The InChIKey is UPGMJODIZBORLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO3S/c1-9(18)10-4-2-5-11(8-10)17-21(19,20)14-12(15)6-3-7-13(14)16/h2-8,17H,1H3.
What are the key properties of N-(3-acetylphenyl)-2,6-difluorobenzenesulfonamide?
N-(3-acetylphenyl)-2,6-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)-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 3836983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).