4-cyclohexyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide

C18H22N2O2S — CID 893741

IUPAC4-cyclohexyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)n1
InChIInChI=1S/C18H22N2O2S/c1-14-6-5-9-18(19-14)20-23(21,22)17-12-10-16(11-13-17)15-7-3-2-4-8-15/h5-6,9-13,15H,2-4,7-8H2,1H3,(H,19,20)
InChIKeyASDUIJPFESTTKK-UHFFFAOYSA-N
MW330.45 g/mol
LogP4.24
Rot. Bonds4

About 4-cyclohexyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide

4-cyclohexyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide (PubChem CID 893741) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 4-cyclohexyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyclohexyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide
PubChem CID893741
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name4-cyclohexyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)n1
InChIInChI=1S/C18H22N2O2S/c1-14-6-5-9-18(19-14)20-23(21,22)17-12-10-16(11-13-17)15-7-3-2-4-8-15/h5-6,9-13,15H,2-4,7-8H2,1H3,(H,19,20)
InChIKeyASDUIJPFESTTKK-UHFFFAOYSA-N
XLogP4.24
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-cyclohexyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide (CID 893741) is 4-cyclohexyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-cyclohexyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-cyclohexyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide is Cc1cccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)n1.
What is the InChIKey of 4-cyclohexyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is ASDUIJPFESTTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-14-6-5-9-18(19-14)20-23(21,22)17-12-10-16(11-13-17)15-7-3-2-4-8-15/h5-6,9-13,15H,2-4,7-8H2,1H3,(H,19,20).
What are the key properties of 4-cyclohexyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide?
4-cyclohexyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide has a molecular weight of 330.45 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 893741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).