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

C15H12Cl2N4O3S — CID 59407000

IUPAC2,4-dichloro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide
SMILESCc1cc(=O)n(-c2ccc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cn2)[nH]1
InChIInChI=1S/C15H12Cl2N4O3S/c1-9-6-15(22)21(19-9)14-5-3-11(8-18-14)20-25(23,24)13-4-2-10(16)7-12(13)17/h2-8,19-20H,1H3
InChIKeyBHDAKJACFUAVBA-UHFFFAOYSA-N
MW399.26 g/mol
LogP2.98
Rot. Bonds4

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

2,4-dichloro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 59407000) has the molecular formula C15H12Cl2N4O3S and a molecular weight of 399.26 g/mol. Its IUPAC name is 2,4-dichloro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID59407000
Molecular FormulaC15H12Cl2N4O3S
Molecular Weight399.26 g/mol
Exact Mass398.00
IUPAC Name2,4-dichloro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide
SMILESCc1cc(=O)n(-c2ccc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cn2)[nH]1
InChIInChI=1S/C15H12Cl2N4O3S/c1-9-6-15(22)21(19-9)14-5-3-11(8-18-14)20-25(23,24)13-4-2-10(16)7-12(13)17/h2-8,19-20H,1H3
InChIKeyBHDAKJACFUAVBA-UHFFFAOYSA-N
XLogP2.98
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.26
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide (CID 59407000) is 2,4-dichloro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide is Cc1cc(=O)n(-c2ccc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cn2)[nH]1.
What is the InChIKey of 2,4-dichloro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is BHDAKJACFUAVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4O3S/c1-9-6-15(22)21(19-9)14-5-3-11(8-18-14)20-25(23,24)13-4-2-10(16)7-12(13)17/h2-8,19-20H,1H3.
What are the key properties of 2,4-dichloro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide?
2,4-dichloro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 399.26 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 59407000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).