4-cyclohexyl-N-[4-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide

C20H22N4O2S — CID 25499358

IUPAC4-cyclohexyl-N-[4-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-n2cncn2)cc1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C20H22N4O2S/c25-27(26,20-12-6-17(7-13-20)16-4-2-1-3-5-16)23-18-8-10-19(11-9-18)24-15-21-14-22-24/h6-16,23H,1-5H2
InChIKeySLKJNVGNXRLPJQ-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.12
Rot. Bonds5

About 4-cyclohexyl-N-[4-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide

4-cyclohexyl-N-[4-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide (PubChem CID 25499358) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 4-cyclohexyl-N-[4-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyclohexyl-N-[4-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide
PubChem CID25499358
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name4-cyclohexyl-N-[4-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-n2cncn2)cc1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C20H22N4O2S/c25-27(26,20-12-6-17(7-13-20)16-4-2-1-3-5-16)23-18-8-10-19(11-9-18)24-15-21-14-22-24/h6-16,23H,1-5H2
InChIKeySLKJNVGNXRLPJQ-UHFFFAOYSA-N
XLogP4.12
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclohexyl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzenesulfonamide
CID 25420949
N-cyclohexyl-4-(1,2,4-triazol-1-yl)aniline
CID 54862655
N-[4-(1,2,4-triazol-1-yl)phenyl]cyclooctanamine
CID 60927914
4-cyclohexyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 24656637
4-cyclohexyl-N-[4-[(R)-methylsulfinyl]phenyl]benzenesulfonamide
CID 95781125
4-cyclohexyl-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43532736
1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]-N-methylcyclopropane-1-carboxamide
CID 46378340
4-cyclohexyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 18515473
4-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 35539697
propan-2-yl 4-[(4-cyclohexylphenyl)sulfonylamino]benzoate
CID 7938910
N-(cyclohexylmethyl)-1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 46378300
5-[(4-cyclohexylphenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide
CID 8519759

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-[4-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-cyclohexyl-N-[4-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide (CID 25499358) is 4-cyclohexyl-N-[4-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-cyclohexyl-N-[4-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-cyclohexyl-N-[4-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(-n2cncn2)cc1)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 4-cyclohexyl-N-[4-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide?
The InChIKey is SLKJNVGNXRLPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c25-27(26,20-12-6-17(7-13-20)16-4-2-1-3-5-16)23-18-8-10-19(11-9-18)24-15-21-14-22-24/h6-16,23H,1-5H2.
What are the key properties of 4-cyclohexyl-N-[4-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide?
4-cyclohexyl-N-[4-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide has a molecular weight of 382.49 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-[4-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 25499358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).