3-chloro-4-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide

C15H12ClFN4O3S — CID 59407039

IUPAC3-chloro-4-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide
SMILESCc1cc(=O)n(-c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cn2)[nH]1
InChIInChI=1S/C15H12ClFN4O3S/c1-9-6-15(22)21(19-9)14-5-2-10(8-18-14)20-25(23,24)11-3-4-13(17)12(16)7-11/h2-8,19-20H,1H3
InChIKeySKPRZKGKWJNXMM-UHFFFAOYSA-N
MW382.80 g/mol
LogP2.46
Rot. Bonds4

About 3-chloro-4-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide

3-chloro-4-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 59407039) has the molecular formula C15H12ClFN4O3S and a molecular weight of 382.80 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID59407039
Molecular FormulaC15H12ClFN4O3S
Molecular Weight382.80 g/mol
Exact Mass382.03
IUPAC Name3-chloro-4-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide
SMILESCc1cc(=O)n(-c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cn2)[nH]1
InChIInChI=1S/C15H12ClFN4O3S/c1-9-6-15(22)21(19-9)14-5-2-10(8-18-14)20-25(23,24)11-3-4-13(17)12(16)7-11/h2-8,19-20H,1H3
InChIKeySKPRZKGKWJNXMM-UHFFFAOYSA-N
XLogP2.46
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.80
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide (CID 59407039) is 3-chloro-4-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide is Cc1cc(=O)n(-c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cn2)[nH]1.
What is the InChIKey of 3-chloro-4-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is SKPRZKGKWJNXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN4O3S/c1-9-6-15(22)21(19-9)14-5-2-10(8-18-14)20-25(23,24)11-3-4-13(17)12(16)7-11/h2-8,19-20H,1H3.
What are the key properties of 3-chloro-4-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide?
3-chloro-4-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 382.80 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 59407039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).