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

C15H12Cl2N4O3S — CID 59407005

IUPAC3,4-dichloro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide
SMILESCc1cc(=O)n(-c2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cn2)[nH]1
InChIInChI=1S/C15H12Cl2N4O3S/c1-9-6-15(22)21(19-9)14-5-2-10(8-18-14)20-25(23,24)11-3-4-12(16)13(17)7-11/h2-8,19-20H,1H3
InChIKeyOWTKNYVZIAYVQQ-UHFFFAOYSA-N
MW399.26 g/mol
LogP2.98
Rot. Bonds4

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

3,4-dichloro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 59407005) has the molecular formula C15H12Cl2N4O3S and a molecular weight of 399.26 g/mol. Its IUPAC name is 3,4-dichloro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID59407005
Molecular FormulaC15H12Cl2N4O3S
Molecular Weight399.26 g/mol
Exact Mass398.00
IUPAC Name3,4-dichloro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide
SMILESCc1cc(=O)n(-c2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cn2)[nH]1
InChIInChI=1S/C15H12Cl2N4O3S/c1-9-6-15(22)21(19-9)14-5-2-10(8-18-14)20-25(23,24)11-3-4-12(16)13(17)7-11/h2-8,19-20H,1H3
InChIKeyOWTKNYVZIAYVQQ-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

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

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Launch Full Analysis

Related Compounds

N'1-(4-Chlorobenzenesulfonyl)-N'-(pyridin-2-YL)ethanedihydrazide
CID 1596817
3,4-dichloro-N'-(3-pyrrol-1-yl-2-pyridinyl)benzenesulfonohydrazide
CID 2740727
2,4-difluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide
CID 59407004
3-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide
CID 59407013
2,3,4-trifluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide
CID 59407024
N-[6-(4-benzyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]-3-chloro-4-fluorobenzenesulfonamide
CID 59407030
3,5-difluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide
CID 59407036
3-chloro-4-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide
CID 59407039
3-(2-Aminoethyl)-1-(2,3-dichlorophenyl)sulfonylimidazo[4,5-b]pyridin-2-one
CID 11153412
2,5-dichloro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]thiophene-3-sulfonamide
CID 16040573
2,4-dichloro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide
CID 59407000
4-chloro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide
CID 59407003

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide (CID 59407005) is 3,4-dichloro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide is Cc1cc(=O)n(-c2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cn2)[nH]1.
What is the InChIKey of 3,4-dichloro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is OWTKNYVZIAYVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4O3S/c1-9-6-15(22)21(19-9)14-5-2-10(8-18-14)20-25(23,24)11-3-4-12(16)13(17)7-11/h2-8,19-20H,1H3.
What are the key properties of 3,4-dichloro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide?
3,4-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 3,4-dichloro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 59407005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).