N-[1-phenyl-2-(triazol-2-yl)ethyl]propane-1-sulfonamide

C13H18N4O2S — CID 121176556

IUPACN-[1-phenyl-2-(triazol-2-yl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(Cn1nccn1)c1ccccc1
InChIInChI=1S/C13H18N4O2S/c1-2-10-20(18,19)16-13(11-17-14-8-9-15-17)12-6-4-3-5-7-12/h3-9,13,16H,2,10-11H2,1H3
InChIKeyHCDDFWITWGUFTJ-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.35
Rot. Bonds7

About N-[1-phenyl-2-(triazol-2-yl)ethyl]propane-1-sulfonamide

N-[1-phenyl-2-(triazol-2-yl)ethyl]propane-1-sulfonamide (PubChem CID 121176556) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[1-phenyl-2-(triazol-2-yl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-phenyl-2-(triazol-2-yl)ethyl]propane-1-sulfonamide
PubChem CID121176556
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN-[1-phenyl-2-(triazol-2-yl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(Cn1nccn1)c1ccccc1
InChIInChI=1S/C13H18N4O2S/c1-2-10-20(18,19)16-13(11-17-14-8-9-15-17)12-6-4-3-5-7-12/h3-9,13,16H,2,10-11H2,1H3
InChIKeyHCDDFWITWGUFTJ-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-phenyl-2-(triazol-2-yl)ethyl]propane-1-sulfonamide 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-phenyl-2-(triazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 119101653
N-[1-phenyl-2-(triazol-2-yl)ethyl]butanamide
CID 121176333
2,4-dimethyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide
CID 121176514
1-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]imidazole-4-sulfonamide
CID 121176568
3-chloro-2-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide
CID 121018967
3,5-dimethyl-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-4-sulfonamide
CID 124761115
N-[1-phenyl-2-(triazol-2-yl)ethyl]pentanamide
CID 121176209
N-(4-hydroxy-1-phenylbutyl)propane-1-sulfonamide
CID 111448436
1-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide
CID 121176610
3-acetyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide
CID 121176531
N-(1,4-diphenylbutyl)propane-1-sulfonamide
CID 60580802
3-(benzenesulfonyl)-N-[1-phenyl-2-(triazol-2-yl)ethyl]propanamide
CID 121176264

Frequently Asked Questions

What is the IUPAC name of N-[1-phenyl-2-(triazol-2-yl)ethyl]propane-1-sulfonamide?
The IUPAC name of N-[1-phenyl-2-(triazol-2-yl)ethyl]propane-1-sulfonamide (CID 121176556) is N-[1-phenyl-2-(triazol-2-yl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-phenyl-2-(triazol-2-yl)ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[1-phenyl-2-(triazol-2-yl)ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NC(Cn1nccn1)c1ccccc1.
What is the InChIKey of N-[1-phenyl-2-(triazol-2-yl)ethyl]propane-1-sulfonamide?
The InChIKey is HCDDFWITWGUFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-2-10-20(18,19)16-13(11-17-14-8-9-15-17)12-6-4-3-5-7-12/h3-9,13,16H,2,10-11H2,1H3.
What are the key properties of N-[1-phenyl-2-(triazol-2-yl)ethyl]propane-1-sulfonamide?
N-[1-phenyl-2-(triazol-2-yl)ethyl]propane-1-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-phenyl-2-(triazol-2-yl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 121176556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).