N-(5-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzenesulfonamide

C15H14N4O2S — CID 20914762

IUPACN-(5-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(-n3cccn3)cc2)nc1
InChIInChI=1S/C15H14N4O2S/c1-12-3-8-15(16-11-12)18-22(20,21)14-6-4-13(5-7-14)19-10-2-9-17-19/h2-11H,1H3,(H,16,18)
InChIKeyDFOXOISQIVBRGD-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.38
Rot. Bonds4

About N-(5-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzenesulfonamide

N-(5-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzenesulfonamide (PubChem CID 20914762) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzenesulfonamide
PubChem CID20914762
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC NameN-(5-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(-n3cccn3)cc2)nc1
InChIInChI=1S/C15H14N4O2S/c1-12-3-8-15(16-11-12)18-22(20,21)14-6-4-13(5-7-14)19-10-2-9-17-19/h2-11H,1H3,(H,16,18)
InChIKeyDFOXOISQIVBRGD-UHFFFAOYSA-N
XLogP2.38
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzenesulfonamide (CID 20914762) is N-(5-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(-n3cccn3)cc2)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is DFOXOISQIVBRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-12-3-8-15(16-11-12)18-22(20,21)14-6-4-13(5-7-14)19-10-2-9-17-19/h2-11H,1H3,(H,16,18).
What are the key properties of N-(5-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzenesulfonamide?
N-(5-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzenesulfonamide has a molecular weight of 314.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 20914762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).