3-cyano-N-(5-methyl-2-pyridin-4-ylpyrazol-3-yl)benzenesulfonamide

C16H13N5O2S — CID 139011543

IUPAC3-cyano-N-(5-methyl-2-pyridin-4-ylpyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cccc(C#N)c2)n(-c2ccncc2)n1
InChIInChI=1S/C16H13N5O2S/c1-12-9-16(21(19-12)14-5-7-18-8-6-14)20-24(22,23)15-4-2-3-13(10-15)11-17/h2-10,20H,1H3
InChIKeyOMCNZALOLPYBBX-UHFFFAOYSA-N
MW339.38 g/mol
LogP2.25
Rot. Bonds4

About 3-cyano-N-(5-methyl-2-pyridin-4-ylpyrazol-3-yl)benzenesulfonamide

3-cyano-N-(5-methyl-2-pyridin-4-ylpyrazol-3-yl)benzenesulfonamide (PubChem CID 139011543) has the molecular formula C16H13N5O2S and a molecular weight of 339.38 g/mol. Its IUPAC name is 3-cyano-N-(5-methyl-2-pyridin-4-ylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(5-methyl-2-pyridin-4-ylpyrazol-3-yl)benzenesulfonamide
PubChem CID139011543
Molecular FormulaC16H13N5O2S
Molecular Weight339.38 g/mol
Exact Mass339.08
IUPAC Name3-cyano-N-(5-methyl-2-pyridin-4-ylpyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cccc(C#N)c2)n(-c2ccncc2)n1
InChIInChI=1S/C16H13N5O2S/c1-12-9-16(21(19-12)14-5-7-18-8-6-14)20-24(22,23)15-4-2-3-13(10-15)11-17/h2-10,20H,1H3
InChIKeyOMCNZALOLPYBBX-UHFFFAOYSA-N
XLogP2.25
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(5-methyl-2-pyridin-4-ylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 3-cyano-N-(5-methyl-2-pyridin-4-ylpyrazol-3-yl)benzenesulfonamide (CID 139011543) is 3-cyano-N-(5-methyl-2-pyridin-4-ylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(5-methyl-2-pyridin-4-ylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-(5-methyl-2-pyridin-4-ylpyrazol-3-yl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2cccc(C#N)c2)n(-c2ccncc2)n1.
What is the InChIKey of 3-cyano-N-(5-methyl-2-pyridin-4-ylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is OMCNZALOLPYBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2S/c1-12-9-16(21(19-12)14-5-7-18-8-6-14)20-24(22,23)15-4-2-3-13(10-15)11-17/h2-10,20H,1H3.
What are the key properties of 3-cyano-N-(5-methyl-2-pyridin-4-ylpyrazol-3-yl)benzenesulfonamide?
3-cyano-N-(5-methyl-2-pyridin-4-ylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 339.38 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(5-methyl-2-pyridin-4-ylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 139011543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).