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

C15H12F2N4O3S — CID 59407036

IUPAC3,5-difluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide
SMILESCc1cc(=O)n(-c2ccc(NS(=O)(=O)c3cc(F)cc(F)c3)cn2)[nH]1
InChIInChI=1S/C15H12F2N4O3S/c1-9-4-15(22)21(19-9)14-3-2-12(8-18-14)20-25(23,24)13-6-10(16)5-11(17)7-13/h2-8,19-20H,1H3
InChIKeyLTZGFDCMERBULH-UHFFFAOYSA-N
MW366.35 g/mol
LogP1.95
Rot. Bonds4

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

3,5-difluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 59407036) has the molecular formula C15H12F2N4O3S and a molecular weight of 366.35 g/mol. Its IUPAC name is 3,5-difluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-difluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID59407036
Molecular FormulaC15H12F2N4O3S
Molecular Weight366.35 g/mol
Exact Mass366.06
IUPAC Name3,5-difluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide
SMILESCc1cc(=O)n(-c2ccc(NS(=O)(=O)c3cc(F)cc(F)c3)cn2)[nH]1
InChIInChI=1S/C15H12F2N4O3S/c1-9-4-15(22)21(19-9)14-3-2-12(8-18-14)20-25(23,24)13-6-10(16)5-11(17)7-13/h2-8,19-20H,1H3
InChIKeyLTZGFDCMERBULH-UHFFFAOYSA-N
XLogP1.95
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 3,5-difluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide (CID 59407036) is 3,5-difluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 3,5-difluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 3,5-difluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide is Cc1cc(=O)n(-c2ccc(NS(=O)(=O)c3cc(F)cc(F)c3)cn2)[nH]1.
What is the InChIKey of 3,5-difluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is LTZGFDCMERBULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4O3S/c1-9-4-15(22)21(19-9)14-3-2-12(8-18-14)20-25(23,24)13-6-10(16)5-11(17)7-13/h2-8,19-20H,1H3.
What are the key properties of 3,5-difluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide?
3,5-difluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 366.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 59407036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).