4-(4-cyclohexylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-yl)pyridine

C19H20N4O2S — CID 164878137

IUPAC4-(4-cyclohexylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-yl)pyridine
SMILESO=S(=O)(c1ccc(-c2ccnc(-c3ncn[nH]3)c2)cc1)C1CCCCC1
InChIInChI=1S/C19H20N4O2S/c24-26(25,16-4-2-1-3-5-16)17-8-6-14(7-9-17)15-10-11-20-18(12-15)19-21-13-22-23-19/h6-13,16H,1-5H2,(H,21,22,23)
InChIKeyHEPHOBXUBGYYGJ-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.64
Rot. Bonds4

About 4-(4-cyclohexylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-yl)pyridine

4-(4-cyclohexylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-yl)pyridine (PubChem CID 164878137) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-(4-cyclohexylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-yl)pyridine.

Molecular Properties

Compound Name4-(4-cyclohexylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-yl)pyridine
PubChem CID164878137
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name4-(4-cyclohexylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-yl)pyridine
SMILESO=S(=O)(c1ccc(-c2ccnc(-c3ncn[nH]3)c2)cc1)C1CCCCC1
InChIInChI=1S/C19H20N4O2S/c24-26(25,16-4-2-1-3-5-16)17-8-6-14(7-9-17)15-10-11-20-18(12-15)19-21-13-22-23-19/h6-13,16H,1-5H2,(H,21,22,23)
InChIKeyHEPHOBXUBGYYGJ-UHFFFAOYSA-N
XLogP3.64
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-yl)pyridine?
The IUPAC name of 4-(4-cyclohexylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-yl)pyridine (CID 164878137) is 4-(4-cyclohexylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-yl)pyridine.
What is the SMILES notation for 4-(4-cyclohexylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-yl)pyridine?
The canonical SMILES for 4-(4-cyclohexylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-yl)pyridine is O=S(=O)(c1ccc(-c2ccnc(-c3ncn[nH]3)c2)cc1)C1CCCCC1.
What is the InChIKey of 4-(4-cyclohexylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-yl)pyridine?
The InChIKey is HEPHOBXUBGYYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c24-26(25,16-4-2-1-3-5-16)17-8-6-14(7-9-17)15-10-11-20-18(12-15)19-21-13-22-23-19/h6-13,16H,1-5H2,(H,21,22,23).
What are the key properties of 4-(4-cyclohexylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-yl)pyridine?
4-(4-cyclohexylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-yl)pyridine has a molecular weight of 368.46 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-yl)pyridine is sourced from PubChem (CID 164878137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).