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

C15H14N4O2S — CID 20914793

IUPACN-(4-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzenesulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(-n3cccn3)cc2)c1
InChIInChI=1S/C15H14N4O2S/c1-12-7-9-16-15(11-12)18-22(20,21)14-5-3-13(4-6-14)19-10-2-8-17-19/h2-11H,1H3,(H,16,18)
InChIKeyCPUCVKLBTAQCDC-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.38
Rot. Bonds4

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

N-(4-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzenesulfonamide (PubChem CID 20914793) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzenesulfonamide
PubChem CID20914793
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC NameN-(4-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzenesulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(-n3cccn3)cc2)c1
InChIInChI=1S/C15H14N4O2S/c1-12-7-9-16-15(11-12)18-22(20,21)14-5-3-13(4-6-14)19-10-2-8-17-19/h2-11H,1H3,(H,16,18)
InChIKeyCPUCVKLBTAQCDC-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-(4-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzenesulfonamide (CID 20914793) is N-(4-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzenesulfonamide is Cc1ccnc(NS(=O)(=O)c2ccc(-n3cccn3)cc2)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is CPUCVKLBTAQCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-12-7-9-16-15(11-12)18-22(20,21)14-5-3-13(4-6-14)19-10-2-8-17-19/h2-11H,1H3,(H,16,18).
What are the key properties of N-(4-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzenesulfonamide?
N-(4-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-(4-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 20914793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).