N-(3-methylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide

C15H14N4O2S — CID 71688094

IUPACN-(3-methylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cnn(-c3ccccn3)c2)c1
InChIInChI=1S/C15H14N4O2S/c1-12-5-4-6-13(9-12)18-22(20,21)14-10-17-19(11-14)15-7-2-3-8-16-15/h2-11,18H,1H3
InChIKeyGHDBSURCVTZIDR-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.38
Rot. Bonds4

About N-(3-methylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide

N-(3-methylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide (PubChem CID 71688094) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-(3-methylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide
PubChem CID71688094
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC NameN-(3-methylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cnn(-c3ccccn3)c2)c1
InChIInChI=1S/C15H14N4O2S/c1-12-5-4-6-13(9-12)18-22(20,21)14-10-17-19(11-14)15-7-2-3-8-16-15/h2-11,18H,1H3
InChIKeyGHDBSURCVTZIDR-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-(3-methylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-(3-methylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide (CID 71688094) is N-(3-methylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-methylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-(3-methylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide is Cc1cccc(NS(=O)(=O)c2cnn(-c3ccccn3)c2)c1.
What is the InChIKey of N-(3-methylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide?
The InChIKey is GHDBSURCVTZIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-12-5-4-6-13(9-12)18-22(20,21)14-10-17-19(11-14)15-7-2-3-8-16-15/h2-11,18H,1H3.
What are the key properties of N-(3-methylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide?
N-(3-methylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide 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-(3-methylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 71688094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).