1-ethyl-4-[2-(3-ethylsulfonylphenyl)butyl]triazole

C16H23N3O2S — CID 112717704

IUPAC1-ethyl-4-[2-(3-ethylsulfonylphenyl)butyl]triazole
SMILESCCC(Cc1cn(CC)nn1)c1cccc(S(=O)(=O)CC)c1
InChIInChI=1S/C16H23N3O2S/c1-4-13(10-15-12-19(5-2)18-17-15)14-8-7-9-16(11-14)22(20,21)6-3/h7-9,11-13H,4-6,10H2,1-3H3
InChIKeyZFRYCRMZHHIONG-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.83
Rot. Bonds7

About 1-ethyl-4-[2-(3-ethylsulfonylphenyl)butyl]triazole

1-ethyl-4-[2-(3-ethylsulfonylphenyl)butyl]triazole (PubChem CID 112717704) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 1-ethyl-4-[2-(3-ethylsulfonylphenyl)butyl]triazole.

Molecular Properties

Compound Name1-ethyl-4-[2-(3-ethylsulfonylphenyl)butyl]triazole
PubChem CID112717704
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name1-ethyl-4-[2-(3-ethylsulfonylphenyl)butyl]triazole
SMILESCCC(Cc1cn(CC)nn1)c1cccc(S(=O)(=O)CC)c1
InChIInChI=1S/C16H23N3O2S/c1-4-13(10-15-12-19(5-2)18-17-15)14-8-7-9-16(11-14)22(20,21)6-3/h7-9,11-13H,4-6,10H2,1-3H3
InChIKeyZFRYCRMZHHIONG-UHFFFAOYSA-N
XLogP2.83
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-4-[2-(3-ethylsulfonylphenyl)butyl]triazole 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

1-ethyl-4-[2-(3-methylsulfonylphenyl)butyl]triazole
CID 112717690
1-ethyl-4-[2-(3-propylsulfonylphenyl)propyl]triazole
CID 112717717
3-[1-(1-ethyltriazol-4-yl)butan-2-yl]phenol
CID 112718351
4-[2-(3-tert-butyl-4-methylphenyl)butyl]-1-ethyltriazole
CID 112719294
1-ethyl-4-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]triazole
CID 112718565
4-[1-(1-ethyltriazol-4-yl)butan-2-yl]-2-(hydroxymethyl)phenol
CID 112717061
4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-1-ethyltriazole
CID 112717193
4-[2-(2,5-diethylphenyl)butyl]-1-ethyltriazole
CID 112717076
4-[2-(4-ethoxy-2-ethylphenyl)butyl]-1-ethyltriazole
CID 112719520
(2S)-1-(1-ethyltriazol-4-yl)propan-2-amine
CID 125458566
1-ethyl-4-[[3-(2-methylpropyl)phenyl]methyl]triazole
CID 126551634
4-[1-(1-ethyltriazol-4-yl)propan-2-yl]aniline
CID 112718097

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-(3-ethylsulfonylphenyl)butyl]triazole?
The IUPAC name of 1-ethyl-4-[2-(3-ethylsulfonylphenyl)butyl]triazole (CID 112717704) is 1-ethyl-4-[2-(3-ethylsulfonylphenyl)butyl]triazole.
What is the SMILES notation for 1-ethyl-4-[2-(3-ethylsulfonylphenyl)butyl]triazole?
The canonical SMILES for 1-ethyl-4-[2-(3-ethylsulfonylphenyl)butyl]triazole is CCC(Cc1cn(CC)nn1)c1cccc(S(=O)(=O)CC)c1.
What is the InChIKey of 1-ethyl-4-[2-(3-ethylsulfonylphenyl)butyl]triazole?
The InChIKey is ZFRYCRMZHHIONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-4-13(10-15-12-19(5-2)18-17-15)14-8-7-9-16(11-14)22(20,21)6-3/h7-9,11-13H,4-6,10H2,1-3H3.
What are the key properties of 1-ethyl-4-[2-(3-ethylsulfonylphenyl)butyl]triazole?
1-ethyl-4-[2-(3-ethylsulfonylphenyl)butyl]triazole has a molecular weight of 321.45 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-(3-ethylsulfonylphenyl)butyl]triazole is sourced from PubChem (CID 112717704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).