1-cyclobutyl-N-(2-phenyltriazol-4-yl)pyrazole-4-sulfonamide

C15H16N6O2S — CID 146141093

IUPAC1-cyclobutyl-N-(2-phenyltriazol-4-yl)pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1cnn(-c2ccccc2)n1)c1cnn(C2CCC2)c1
InChIInChI=1S/C15H16N6O2S/c22-24(23,14-9-16-20(11-14)12-7-4-8-12)19-15-10-17-21(18-15)13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8H2,(H,18,19)
InChIKeyNOGSJKGAMPDQBR-UHFFFAOYSA-N
MW344.40 g/mol
LogP1.99
Rot. Bonds5

About 1-cyclobutyl-N-(2-phenyltriazol-4-yl)pyrazole-4-sulfonamide

1-cyclobutyl-N-(2-phenyltriazol-4-yl)pyrazole-4-sulfonamide (PubChem CID 146141093) has the molecular formula C15H16N6O2S and a molecular weight of 344.40 g/mol. Its IUPAC name is 1-cyclobutyl-N-(2-phenyltriazol-4-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-cyclobutyl-N-(2-phenyltriazol-4-yl)pyrazole-4-sulfonamide
PubChem CID146141093
Molecular FormulaC15H16N6O2S
Molecular Weight344.40 g/mol
Exact Mass344.11
IUPAC Name1-cyclobutyl-N-(2-phenyltriazol-4-yl)pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1cnn(-c2ccccc2)n1)c1cnn(C2CCC2)c1
InChIInChI=1S/C15H16N6O2S/c22-24(23,14-9-16-20(11-14)12-7-4-8-12)19-15-10-17-21(18-15)13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8H2,(H,18,19)
InChIKeyNOGSJKGAMPDQBR-UHFFFAOYSA-N
XLogP1.99
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-(2-phenyltriazol-4-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-cyclobutyl-N-(2-phenyltriazol-4-yl)pyrazole-4-sulfonamide (CID 146141093) is 1-cyclobutyl-N-(2-phenyltriazol-4-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-cyclobutyl-N-(2-phenyltriazol-4-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-cyclobutyl-N-(2-phenyltriazol-4-yl)pyrazole-4-sulfonamide is O=S(=O)(Nc1cnn(-c2ccccc2)n1)c1cnn(C2CCC2)c1.
What is the InChIKey of 1-cyclobutyl-N-(2-phenyltriazol-4-yl)pyrazole-4-sulfonamide?
The InChIKey is NOGSJKGAMPDQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2S/c22-24(23,14-9-16-20(11-14)12-7-4-8-12)19-15-10-17-21(18-15)13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8H2,(H,18,19).
What are the key properties of 1-cyclobutyl-N-(2-phenyltriazol-4-yl)pyrazole-4-sulfonamide?
1-cyclobutyl-N-(2-phenyltriazol-4-yl)pyrazole-4-sulfonamide has a molecular weight of 344.40 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-(2-phenyltriazol-4-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 146141093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).