4-(5-hydroxypentyl)benzenesulfonamide

C11H17NO3S — CID 15707362

IUPAC4-(5-hydroxypentyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCCCCO)cc1
InChIInChI=1S/C11H17NO3S/c12-16(14,15)11-7-5-10(6-8-11)4-2-1-3-9-13/h5-8,13H,1-4,9H2,(H2,12,14,15)
InChIKeyKFRDUIZQGPSJJM-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.04
Rot. Bonds6

About 4-(5-hydroxypentyl)benzenesulfonamide

4-(5-hydroxypentyl)benzenesulfonamide (PubChem CID 15707362) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 4-(5-hydroxypentyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(5-hydroxypentyl)benzenesulfonamide
PubChem CID15707362
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name4-(5-hydroxypentyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCCCCO)cc1
InChIInChI=1S/C11H17NO3S/c12-16(14,15)11-7-5-10(6-8-11)4-2-1-3-9-13/h5-8,13H,1-4,9H2,(H2,12,14,15)
InChIKeyKFRDUIZQGPSJJM-UHFFFAOYSA-N
XLogP1.04
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.04
H-Bond Donors ≤ 52
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-(5-hydroxypentyl)benzenesulfonamide?
The IUPAC name of 4-(5-hydroxypentyl)benzenesulfonamide (CID 15707362) is 4-(5-hydroxypentyl)benzenesulfonamide.
What is the SMILES notation for 4-(5-hydroxypentyl)benzenesulfonamide?
The canonical SMILES for 4-(5-hydroxypentyl)benzenesulfonamide is NS(=O)(=O)c1ccc(CCCCCO)cc1.
What is the InChIKey of 4-(5-hydroxypentyl)benzenesulfonamide?
The InChIKey is KFRDUIZQGPSJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c12-16(14,15)11-7-5-10(6-8-11)4-2-1-3-9-13/h5-8,13H,1-4,9H2,(H2,12,14,15).
What are the key properties of 4-(5-hydroxypentyl)benzenesulfonamide?
4-(5-hydroxypentyl)benzenesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-hydroxypentyl)benzenesulfonamide is sourced from PubChem (CID 15707362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).