4-cyclohexyl-N-(pyridin-4-ylmethyl)benzenesulfonamide

C18H22N2O2S — CID 6459432

IUPAC4-cyclohexyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccncc1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C18H22N2O2S/c21-23(22,20-14-15-10-12-19-13-11-15)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h6-13,16,20H,1-5,14H2
InChIKeyHRBIOWBGGRSAGZ-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.61
Rot. Bonds5

About 4-cyclohexyl-N-(pyridin-4-ylmethyl)benzenesulfonamide

4-cyclohexyl-N-(pyridin-4-ylmethyl)benzenesulfonamide (PubChem CID 6459432) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 4-cyclohexyl-N-(pyridin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyclohexyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
PubChem CID6459432
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name4-cyclohexyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccncc1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C18H22N2O2S/c21-23(22,20-14-15-10-12-19-13-11-15)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h6-13,16,20H,1-5,14H2
InChIKeyHRBIOWBGGRSAGZ-UHFFFAOYSA-N
XLogP3.61
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.61
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-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-cyclohexyl-N-(pyridin-4-ylmethyl)benzenesulfonamide (CID 6459432) is 4-cyclohexyl-N-(pyridin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-cyclohexyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-cyclohexyl-N-(pyridin-4-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1ccncc1)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 4-cyclohexyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The InChIKey is HRBIOWBGGRSAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c21-23(22,20-14-15-10-12-19-13-11-15)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h6-13,16,20H,1-5,14H2.
What are the key properties of 4-cyclohexyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
4-cyclohexyl-N-(pyridin-4-ylmethyl)benzenesulfonamide has a molecular weight of 330.45 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-(pyridin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 6459432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).