2-phenyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]ethanesulfonamide

C13H18N4O2S — CID 95617417

IUPAC2-phenyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]ethanesulfonamide
SMILESC[C@H](Cn1cncn1)NS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C13H18N4O2S/c1-12(9-17-11-14-10-15-17)16-20(18,19)8-7-13-5-3-2-4-6-13/h2-6,10-12,16H,7-9H2,1H3/t12-/m1/s1
InChIKeyUELHTCVMJWXWGG-GFCCVEGCSA-N
MW294.38 g/mol
LogP0.83
Rot. Bonds7

About 2-phenyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]ethanesulfonamide

2-phenyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]ethanesulfonamide (PubChem CID 95617417) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-phenyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-phenyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]ethanesulfonamide
PubChem CID95617417
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name2-phenyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]ethanesulfonamide
SMILESC[C@H](Cn1cncn1)NS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C13H18N4O2S/c1-12(9-17-11-14-10-15-17)16-20(18,19)8-7-13-5-3-2-4-6-13/h2-6,10-12,16H,7-9H2,1H3/t12-/m1/s1
InChIKeyUELHTCVMJWXWGG-GFCCVEGCSA-N
XLogP0.83
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-phenyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-chloropropan-2-yl)-2-phenylethanesulfonamide
CID 80688482
1-(2-phenylethyl)-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]triazole-4-carboxamide
CID 25281033
2-(benzylamino)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 75394822
2-methyl-3-(2-phenylethylsulfonylamino)butanoic acid
CID 113415931
2-(3-phenylpropyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-benzoxazole-5-carboxamide
CID 45188566
N-(4-phenylbutan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 25046012
1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 19849797
N-(pyridin-4-ylmethyl)-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 115595990
(2S,3R)-3-hydroxy-2-(2-phenylethylsulfonylamino)butanoic acid
CID 10891492
(2R,3R)-3-hydroxy-2-(2-phenylethylsulfonylamino)butanoic acid
CID 11748178
2-methyl-N-(2-pyridin-4-ylethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 131925012
(2S)-N-[(2-methoxyphenyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 129369537

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]ethanesulfonamide?
The IUPAC name of 2-phenyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]ethanesulfonamide (CID 95617417) is 2-phenyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]ethanesulfonamide.
What is the SMILES notation for 2-phenyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]ethanesulfonamide?
The canonical SMILES for 2-phenyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]ethanesulfonamide is C[C@H](Cn1cncn1)NS(=O)(=O)CCc1ccccc1.
What is the InChIKey of 2-phenyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]ethanesulfonamide?
The InChIKey is UELHTCVMJWXWGG-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-12(9-17-11-14-10-15-17)16-20(18,19)8-7-13-5-3-2-4-6-13/h2-6,10-12,16H,7-9H2,1H3/t12-/m1/s1.
What are the key properties of 2-phenyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]ethanesulfonamide?
2-phenyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]ethanesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 0.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]ethanesulfonamide is sourced from PubChem (CID 95617417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).