N-(3-acetylphenyl)-3-fluoropyridine-2-sulfonamide

C13H11FN2O3S — CID 103299384

IUPACN-(3-acetylphenyl)-3-fluoropyridine-2-sulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2ncccc2F)c1
InChIInChI=1S/C13H11FN2O3S/c1-9(17)10-4-2-5-11(8-10)16-20(18,19)13-12(14)6-3-7-15-13/h2-8,16H,1H3
InChIKeyMWTPNRUTNXGQKF-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.22
Rot. Bonds4

About N-(3-acetylphenyl)-3-fluoropyridine-2-sulfonamide

N-(3-acetylphenyl)-3-fluoropyridine-2-sulfonamide (PubChem CID 103299384) has the molecular formula C13H11FN2O3S and a molecular weight of 294.31 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-fluoropyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-fluoropyridine-2-sulfonamide
PubChem CID103299384
Molecular FormulaC13H11FN2O3S
Molecular Weight294.31 g/mol
Exact Mass294.05
IUPAC NameN-(3-acetylphenyl)-3-fluoropyridine-2-sulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2ncccc2F)c1
InChIInChI=1S/C13H11FN2O3S/c1-9(17)10-4-2-5-11(8-10)16-20(18,19)13-12(14)6-3-7-15-13/h2-8,16H,1H3
InChIKeyMWTPNRUTNXGQKF-UHFFFAOYSA-N
XLogP2.22
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-fluoro-2-pyridinyl)sulfonylamino]benzenecarbothioamide
CID 103300636
N-(3-acetylphenyl)-2,6-difluorobenzenesulfonamide
CID 3836983
4-[(3-fluoro-2-pyridinyl)sulfonylamino]benzamide
CID 103299122
4-[(3-fluoro-2-pyridinyl)sulfonylamino]pyridine-2-carboxylic acid
CID 103298797
N-(3,4-dichlorophenyl)-3-fluoropyridine-2-sulfonamide
CID 103299127
N-(3-acetylphenyl)-2,4-difluorobenzenesulfonamide
CID 3836234
3-fluoro-N-naphthalen-2-ylpyridine-2-sulfonamide
CID 103299396
2-chloro-4-[(3-fluoro-2-pyridinyl)sulfonylamino]benzoic acid
CID 103298758
4-[(3-fluoro-2-pyridinyl)sulfonylamino]benzenecarbothioamide
CID 103300634
(3-acetylphenyl)sulfamic acid
CID 12629151
N-(2,6-diethylphenyl)-3-fluoropyridine-2-sulfonamide
CID 103299092
N-(3-acetylphenyl)-3,4-dichlorobenzenesulfonamide
CID 3702970

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-fluoropyridine-2-sulfonamide?
The IUPAC name of N-(3-acetylphenyl)-3-fluoropyridine-2-sulfonamide (CID 103299384) is N-(3-acetylphenyl)-3-fluoropyridine-2-sulfonamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-fluoropyridine-2-sulfonamide?
The canonical SMILES for N-(3-acetylphenyl)-3-fluoropyridine-2-sulfonamide is CC(=O)c1cccc(NS(=O)(=O)c2ncccc2F)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-fluoropyridine-2-sulfonamide?
The InChIKey is MWTPNRUTNXGQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3S/c1-9(17)10-4-2-5-11(8-10)16-20(18,19)13-12(14)6-3-7-15-13/h2-8,16H,1H3.
What are the key properties of N-(3-acetylphenyl)-3-fluoropyridine-2-sulfonamide?
N-(3-acetylphenyl)-3-fluoropyridine-2-sulfonamide has a molecular weight of 294.31 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 103299384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).