4-(4-cyclohexyltriazol-1-yl)benzenesulfonamide

C14H18N4O2S — CID 118711612

IUPAC4-(4-cyclohexyltriazol-1-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cc(C3CCCCC3)nn2)cc1
InChIInChI=1S/C14H18N4O2S/c15-21(19,20)13-8-6-12(7-9-13)18-10-14(16-17-18)11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,15,19,20)
InChIKeyOJVPQOFLERGSTQ-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.96
Rot. Bonds3

About 4-(4-cyclohexyltriazol-1-yl)benzenesulfonamide

4-(4-cyclohexyltriazol-1-yl)benzenesulfonamide (PubChem CID 118711612) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-(4-cyclohexyltriazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-cyclohexyltriazol-1-yl)benzenesulfonamide
PubChem CID118711612
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name4-(4-cyclohexyltriazol-1-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cc(C3CCCCC3)nn2)cc1
InChIInChI=1S/C14H18N4O2S/c15-21(19,20)13-8-6-12(7-9-13)18-10-14(16-17-18)11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,15,19,20)
InChIKeyOJVPQOFLERGSTQ-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-Cyclohexyl-1h-1,2,3-Triazol-1-Yl)-2,3,5,6-Tetrafluorobenzenesulfonamide
CID 53389268
4-[4-(Anilinomethyl)triazol-1-yl]benzenesulfonamide
CID 134131659
4-(4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl)benzenesulfonamide
CID 44577804
3-(4-butyltriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 122455390
1-(4-Methanesulfonylphenyl)-5-phenyl-1H-[1,2,3]triazole
CID 21859783
4-(4-o-tolyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide
CID 25071013
4-(4-(4-fluoro-3-methylphenyl)-1H-1,2,3-triazol-1-yl)benzenesulfonamide
CID 44577574
4-(4-(2-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-1-yl)benzenesulfonamide
CID 44577576
4-(4-phenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide
CID 44577800
4-(4-p-tolyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide
CID 44577801
4-(4-m-tolyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide
CID 44577802
4-{1-[4-(aminosulfonyl)phenyl]-1H-1,2,3-triazol-4-yl}benzenesulfonamide
CID 44577803

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexyltriazol-1-yl)benzenesulfonamide?
The IUPAC name of 4-(4-cyclohexyltriazol-1-yl)benzenesulfonamide (CID 118711612) is 4-(4-cyclohexyltriazol-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-(4-cyclohexyltriazol-1-yl)benzenesulfonamide?
The canonical SMILES for 4-(4-cyclohexyltriazol-1-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(-n2cc(C3CCCCC3)nn2)cc1.
What is the InChIKey of 4-(4-cyclohexyltriazol-1-yl)benzenesulfonamide?
The InChIKey is OJVPQOFLERGSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c15-21(19,20)13-8-6-12(7-9-13)18-10-14(16-17-18)11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,15,19,20).
What are the key properties of 4-(4-cyclohexyltriazol-1-yl)benzenesulfonamide?
4-(4-cyclohexyltriazol-1-yl)benzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexyltriazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 118711612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).