3-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide

C15H13FN4O3S — CID 59407013

IUPAC3-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide
SMILESCc1cc(=O)n(-c2ccc(NS(=O)(=O)c3cccc(F)c3)cn2)[nH]1
InChIInChI=1S/C15H13FN4O3S/c1-10-7-15(21)20(18-10)14-6-5-12(9-17-14)19-24(22,23)13-4-2-3-11(16)8-13/h2-9,18-19H,1H3
InChIKeyUKQXUQAIPBVERT-UHFFFAOYSA-N
MW348.36 g/mol
LogP1.81
Rot. Bonds4

About 3-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide

3-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 59407013) has the molecular formula C15H13FN4O3S and a molecular weight of 348.36 g/mol. Its IUPAC name is 3-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID59407013
Molecular FormulaC15H13FN4O3S
Molecular Weight348.36 g/mol
Exact Mass348.07
IUPAC Name3-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide
SMILESCc1cc(=O)n(-c2ccc(NS(=O)(=O)c3cccc(F)c3)cn2)[nH]1
InChIInChI=1S/C15H13FN4O3S/c1-10-7-15(21)20(18-10)14-6-5-12(9-17-14)19-24(22,23)13-4-2-3-11(16)8-13/h2-9,18-19H,1H3
InChIKeyUKQXUQAIPBVERT-UHFFFAOYSA-N
XLogP1.81
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide (CID 59407013) is 3-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide is Cc1cc(=O)n(-c2ccc(NS(=O)(=O)c3cccc(F)c3)cn2)[nH]1.
What is the InChIKey of 3-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is UKQXUQAIPBVERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O3S/c1-10-7-15(21)20(18-10)14-6-5-12(9-17-14)19-24(22,23)13-4-2-3-11(16)8-13/h2-9,18-19H,1H3.
What are the key properties of 3-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide?
3-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 348.36 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 59407013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).