4-cyano-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide

C17H14N4O2S — CID 2815266

IUPAC4-cyano-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide
SMILESCn1nc(-c2ccccc2)cc1NS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C17H14N4O2S/c1-21-17(11-16(19-21)14-5-3-2-4-6-14)20-24(22,23)15-9-7-13(12-18)8-10-15/h2-11,20H,1H3
InChIKeyOQISFSZFAOYENV-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.76
Rot. Bonds4

About 4-cyano-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide

4-cyano-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide (PubChem CID 2815266) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is 4-cyano-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide
PubChem CID2815266
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC Name4-cyano-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide
SMILESCn1nc(-c2ccccc2)cc1NS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C17H14N4O2S/c1-21-17(11-16(19-21)14-5-3-2-4-6-14)20-24(22,23)15-9-7-13(12-18)8-10-15/h2-11,20H,1H3
InChIKeyOQISFSZFAOYENV-UHFFFAOYSA-N
XLogP2.76
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-cyano-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide (CID 2815266) is 4-cyano-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide is Cn1nc(-c2ccccc2)cc1NS(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide?
The InChIKey is OQISFSZFAOYENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S/c1-21-17(11-16(19-21)14-5-3-2-4-6-14)20-24(22,23)15-9-7-13(12-18)8-10-15/h2-11,20H,1H3.
What are the key properties of 4-cyano-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide?
4-cyano-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide has a molecular weight of 338.39 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 2815266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).