4-cyclohexyl-N-pyridin-2-ylbenzenesulfonamide

C17H20N2O2S — CID 778356

IUPAC4-cyclohexyl-N-pyridin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccn1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H20N2O2S/c20-22(21,19-17-8-4-5-13-18-17)16-11-9-15(10-12-16)14-6-2-1-3-7-14/h4-5,8-14H,1-3,6-7H2,(H,18,19)
InChIKeyLYIYSZJVXWQNNF-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.93
Rot. Bonds4

About 4-cyclohexyl-N-pyridin-2-ylbenzenesulfonamide

4-cyclohexyl-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 778356) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 4-cyclohexyl-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-cyclohexyl-N-pyridin-2-ylbenzenesulfonamide
PubChem CID778356
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name4-cyclohexyl-N-pyridin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccn1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H20N2O2S/c20-22(21,19-17-8-4-5-13-18-17)16-11-9-15(10-12-16)14-6-2-1-3-7-14/h4-5,8-14H,1-3,6-7H2,(H,18,19)
InChIKeyLYIYSZJVXWQNNF-UHFFFAOYSA-N
XLogP3.93
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 4-cyclohexyl-N-pyridin-2-ylbenzenesulfonamide (CID 778356) is 4-cyclohexyl-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-cyclohexyl-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-cyclohexyl-N-pyridin-2-ylbenzenesulfonamide is O=S(=O)(Nc1ccccn1)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 4-cyclohexyl-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is LYIYSZJVXWQNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c20-22(21,19-17-8-4-5-13-18-17)16-11-9-15(10-12-16)14-6-2-1-3-7-14/h4-5,8-14H,1-3,6-7H2,(H,18,19).
What are the key properties of 4-cyclohexyl-N-pyridin-2-ylbenzenesulfonamide?
4-cyclohexyl-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 316.43 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 778356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).