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

C15H13ClN4O3S — CID 59407003

IUPAC4-chloro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide
SMILESCc1cc(=O)n(-c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cn2)[nH]1
InChIInChI=1S/C15H13ClN4O3S/c1-10-8-15(21)20(18-10)14-7-4-12(9-17-14)19-24(22,23)13-5-2-11(16)3-6-13/h2-9,18-19H,1H3
InChIKeyRFHOGYLLEIROKY-UHFFFAOYSA-N
MW364.81 g/mol
LogP2.32
Rot. Bonds4

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

4-chloro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 59407003) has the molecular formula C15H13ClN4O3S and a molecular weight of 364.81 g/mol. Its IUPAC name is 4-chloro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID59407003
Molecular FormulaC15H13ClN4O3S
Molecular Weight364.81 g/mol
Exact Mass364.04
IUPAC Name4-chloro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide
SMILESCc1cc(=O)n(-c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cn2)[nH]1
InChIInChI=1S/C15H13ClN4O3S/c1-10-8-15(21)20(18-10)14-7-4-12(9-17-14)19-24(22,23)13-5-2-11(16)3-6-13/h2-9,18-19H,1H3
InChIKeyRFHOGYLLEIROKY-UHFFFAOYSA-N
XLogP2.32
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.81
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide (CID 59407003) is 4-chloro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide is Cc1cc(=O)n(-c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cn2)[nH]1.
What is the InChIKey of 4-chloro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is RFHOGYLLEIROKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O3S/c1-10-8-15(21)20(18-10)14-7-4-12(9-17-14)19-24(22,23)13-5-2-11(16)3-6-13/h2-9,18-19H,1H3.
What are the key properties of 4-chloro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide?
4-chloro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 364.81 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 59407003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).