N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide

C12H11FN2O3S — CID 43629227

IUPACN-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCc1cc(F)ccc1NS(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H11FN2O3S/c1-8-6-9(13)2-4-11(8)15-19(17,18)10-3-5-12(16)14-7-10/h2-7,15H,1H3,(H,14,16)
InChIKeyOESRFJAMRQLWSY-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.62
Rot. Bonds3

About N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide

N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 43629227) has the molecular formula C12H11FN2O3S and a molecular weight of 282.30 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID43629227
Molecular FormulaC12H11FN2O3S
Molecular Weight282.30 g/mol
Exact Mass282.05
IUPAC NameN-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCc1cc(F)ccc1NS(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H11FN2O3S/c1-8-6-9(13)2-4-11(8)15-19(17,18)10-3-5-12(16)14-7-10/h2-7,15H,1H3,(H,14,16)
InChIKeyOESRFJAMRQLWSY-UHFFFAOYSA-N
XLogP1.62
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide (CID 43629227) is N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide is Cc1cc(F)ccc1NS(=O)(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is OESRFJAMRQLWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3S/c1-8-6-9(13)2-4-11(8)15-19(17,18)10-3-5-12(16)14-7-10/h2-7,15H,1H3,(H,14,16).
What are the key properties of N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide?
N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 282.30 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 43629227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).