4-pentyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide

C18H24N2O2S — CID 3598383

IUPAC4-pentyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCc2ccncc2)cc1
InChIInChI=1S/C18H24N2O2S/c1-2-3-4-5-16-6-8-18(9-7-16)23(21,22)20-15-12-17-10-13-19-14-11-17/h6-11,13-14,20H,2-5,12,15H2,1H3
InChIKeyZANLGDBFAYQCAI-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.34
Rot. Bonds9

About 4-pentyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide

4-pentyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide (PubChem CID 3598383) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is 4-pentyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-pentyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
PubChem CID3598383
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name4-pentyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCc2ccncc2)cc1
InChIInChI=1S/C18H24N2O2S/c1-2-3-4-5-16-6-8-18(9-7-16)23(21,22)20-15-12-17-10-13-19-14-11-17/h6-11,13-14,20H,2-5,12,15H2,1H3
InChIKeyZANLGDBFAYQCAI-UHFFFAOYSA-N
XLogP3.34
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-pentyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 4-pentyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide (CID 3598383) is 4-pentyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-pentyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-pentyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide is CCCCCc1ccc(S(=O)(=O)NCCc2ccncc2)cc1.
What is the InChIKey of 4-pentyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The InChIKey is ZANLGDBFAYQCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-2-3-4-5-16-6-8-18(9-7-16)23(21,22)20-15-12-17-10-13-19-14-11-17/h6-11,13-14,20H,2-5,12,15H2,1H3.
What are the key properties of 4-pentyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
4-pentyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide has a molecular weight of 332.47 g/mol, XLogP of 3.34, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 3598383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).