2-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide

C14H18N4O2S — CID 66894398

IUPAC2-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1[C@H]1CCC[C@@H](n2cnnc2)C1
InChIInChI=1S/C14H18N4O2S/c15-21(19,20)14-7-2-1-6-13(14)11-4-3-5-12(8-11)18-9-16-17-10-18/h1-2,6-7,9-12H,3-5,8H2,(H2,15,19,20)/t11-,12+/m0/s1
InChIKeySKVJDDDKXBWHGZ-NWDGAFQWSA-N
MW306.39 g/mol
LogP1.82
Rot. Bonds3

About 2-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide

2-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide (PubChem CID 66894398) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
PubChem CID66894398
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name2-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1[C@H]1CCC[C@@H](n2cnnc2)C1
InChIInChI=1S/C14H18N4O2S/c15-21(19,20)14-7-2-1-6-13(14)11-4-3-5-12(8-11)18-9-16-17-10-18/h1-2,6-7,9-12H,3-5,8H2,(H2,15,19,20)/t11-,12+/m0/s1
InChIKeySKVJDDDKXBWHGZ-NWDGAFQWSA-N
XLogP1.82
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide?
The IUPAC name of 2-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide (CID 66894398) is 2-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 2-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 2-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide is NS(=O)(=O)c1ccccc1[C@H]1CCC[C@@H](n2cnnc2)C1.
What is the InChIKey of 2-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide?
The InChIKey is SKVJDDDKXBWHGZ-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H18N4O2S/c15-21(19,20)14-7-2-1-6-13(14)11-4-3-5-12(8-11)18-9-16-17-10-18/h1-2,6-7,9-12H,3-5,8H2,(H2,15,19,20)/t11-,12+/m0/s1.
What are the key properties of 2-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide?
2-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 66894398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).