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

C15H11F3N4O3S — CID 59407024

IUPAC2,3,4-trifluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide
SMILESCc1cc(=O)n(-c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3F)cn2)[nH]1
InChIInChI=1S/C15H11F3N4O3S/c1-8-6-13(23)22(20-8)12-5-2-9(7-19-12)21-26(24,25)11-4-3-10(16)14(17)15(11)18/h2-7,20-21H,1H3
InChIKeyKRZPTDFKKFJTCF-UHFFFAOYSA-N
MW384.34 g/mol
LogP2.09
Rot. Bonds4

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

2,3,4-trifluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 59407024) has the molecular formula C15H11F3N4O3S and a molecular weight of 384.34 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID59407024
Molecular FormulaC15H11F3N4O3S
Molecular Weight384.34 g/mol
Exact Mass384.05
IUPAC Name2,3,4-trifluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide
SMILESCc1cc(=O)n(-c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3F)cn2)[nH]1
InChIInChI=1S/C15H11F3N4O3S/c1-8-6-13(23)22(20-8)12-5-2-9(7-19-12)21-26(24,25)11-4-3-10(16)14(17)15(11)18/h2-7,20-21H,1H3
InChIKeyKRZPTDFKKFJTCF-UHFFFAOYSA-N
XLogP2.09
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,3,4-trifluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide (CID 59407024) is 2,3,4-trifluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,3,4-trifluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide is Cc1cc(=O)n(-c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3F)cn2)[nH]1.
What is the InChIKey of 2,3,4-trifluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is KRZPTDFKKFJTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O3S/c1-8-6-13(23)22(20-8)12-5-2-9(7-19-12)21-26(24,25)11-4-3-10(16)14(17)15(11)18/h2-7,20-21H,1H3.
What are the key properties of 2,3,4-trifluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide?
2,3,4-trifluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 384.34 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 59407024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).