4-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide

C14H18N4O2S — CID 35539697

IUPAC4-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncn[nH]1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C14H18N4O2S/c19-21(20,18-14-15-10-16-17-14)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,15,16,17,18)
InChIKeyZEKVRQSJQOUDCP-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.65
Rot. Bonds4

About 4-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide

4-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide (PubChem CID 35539697) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
PubChem CID35539697
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name4-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncn[nH]1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C14H18N4O2S/c19-21(20,18-14-15-10-16-17-14)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,15,16,17,18)
InChIKeyZEKVRQSJQOUDCP-UHFFFAOYSA-N
XLogP2.65
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide (CID 35539697) is 4-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide is O=S(=O)(Nc1ncn[nH]1)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 4-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The InChIKey is ZEKVRQSJQOUDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c19-21(20,18-14-15-10-16-17-14)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,15,16,17,18).
What are the key properties of 4-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
4-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 35539697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).