1-phenyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazole-4-sulfonamide

C14H16N6O2S — CID 95316681

IUPAC1-phenyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazole-4-sulfonamide
SMILESC[C@@H](Cn1cncn1)NS(=O)(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H16N6O2S/c1-12(8-19-11-15-10-17-19)18-23(21,22)14-7-16-20(9-14)13-5-3-2-4-6-13/h2-7,9-12,18H,8H2,1H3/t12-/m0/s1
InChIKeyMRANSPVGPRDCGZ-LBPRGKRZSA-N
MW332.39 g/mol
LogP0.83
Rot. Bonds6

About 1-phenyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazole-4-sulfonamide

1-phenyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazole-4-sulfonamide (PubChem CID 95316681) has the molecular formula C14H16N6O2S and a molecular weight of 332.39 g/mol. Its IUPAC name is 1-phenyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-phenyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazole-4-sulfonamide
PubChem CID95316681
Molecular FormulaC14H16N6O2S
Molecular Weight332.39 g/mol
Exact Mass332.11
IUPAC Name1-phenyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazole-4-sulfonamide
SMILESC[C@@H](Cn1cncn1)NS(=O)(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H16N6O2S/c1-12(8-19-11-15-10-17-19)18-23(21,22)14-7-16-20(9-14)13-5-3-2-4-6-13/h2-7,9-12,18H,8H2,1H3/t12-/m0/s1
InChIKeyMRANSPVGPRDCGZ-LBPRGKRZSA-N
XLogP0.83
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-phenyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]ethanesulfonamide
CID 95617417
N-(2-amino-1-cyclopropylethyl)-1-phenylpyrazole-4-sulfonamide
CID 119987043
1-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide
CID 75426525
2-chloro-4-nitro-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]benzenesulfonamide
CID 95173818
N-[(2S)-butan-2-yl]-1-[3-[[(2R)-butan-2-yl]sulfamoyl]-4-methylphenyl]pyrazole-4-sulfonamide
CID 97025466
1-phenyl-N-[2-(propylamino)ethyl]pyrazole-4-sulfonamide;hydrochloride
CID 120716213
N-cyclopentyl-1-phenylpyrazole-4-sulfonamide
CID 47439844
5-chloro-N-[(2R)-4-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-3-sulfonamide
CID 97242234
N-(3-hydroxy-2,4-dimethylphenyl)-1-phenylpyrazole-4-sulfonamide
CID 51093676
6-hydrazinyl-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-3-sulfonamide
CID 61460819
N-[(1R)-1-phenylethyl]-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 95738742
1-(4-methylphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-sulfonamide
CID 95354370

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazole-4-sulfonamide?
The IUPAC name of 1-phenyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazole-4-sulfonamide (CID 95316681) is 1-phenyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-phenyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-phenyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazole-4-sulfonamide is C[C@@H](Cn1cncn1)NS(=O)(=O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 1-phenyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazole-4-sulfonamide?
The InChIKey is MRANSPVGPRDCGZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16N6O2S/c1-12(8-19-11-15-10-17-19)18-23(21,22)14-7-16-20(9-14)13-5-3-2-4-6-13/h2-7,9-12,18H,8H2,1H3/t12-/m0/s1.
What are the key properties of 1-phenyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazole-4-sulfonamide?
1-phenyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazole-4-sulfonamide has a molecular weight of 332.39 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 95316681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).