N-(5-hydroxypentyl)-4-(4-hydroxyphenyl)benzenesulfonamide

C17H21NO4S — CID 11559081

IUPACN-(5-hydroxypentyl)-4-(4-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(NCCCCCO)c1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C17H21NO4S/c19-13-3-1-2-12-18-23(21,22)17-10-6-15(7-11-17)14-4-8-16(20)9-5-14/h4-11,18-20H,1-3,12-13H2
InChIKeyXLNXIKORJLDRAH-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.50
Rot. Bonds8

About N-(5-hydroxypentyl)-4-(4-hydroxyphenyl)benzenesulfonamide

N-(5-hydroxypentyl)-4-(4-hydroxyphenyl)benzenesulfonamide (PubChem CID 11559081) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-4-(4-hydroxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-4-(4-hydroxyphenyl)benzenesulfonamide
PubChem CID11559081
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC NameN-(5-hydroxypentyl)-4-(4-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(NCCCCCO)c1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C17H21NO4S/c19-13-3-1-2-12-18-23(21,22)17-10-6-15(7-11-17)14-4-8-16(20)9-5-14/h4-11,18-20H,1-3,12-13H2
InChIKeyXLNXIKORJLDRAH-UHFFFAOYSA-N
XLogP2.50
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 N-(5-hydroxypentyl)-4-(4-hydroxyphenyl)benzenesulfonamide?
The IUPAC name of N-(5-hydroxypentyl)-4-(4-hydroxyphenyl)benzenesulfonamide (CID 11559081) is N-(5-hydroxypentyl)-4-(4-hydroxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-(5-hydroxypentyl)-4-(4-hydroxyphenyl)benzenesulfonamide?
The canonical SMILES for N-(5-hydroxypentyl)-4-(4-hydroxyphenyl)benzenesulfonamide is O=S(=O)(NCCCCCO)c1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of N-(5-hydroxypentyl)-4-(4-hydroxyphenyl)benzenesulfonamide?
The InChIKey is XLNXIKORJLDRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S/c19-13-3-1-2-12-18-23(21,22)17-10-6-15(7-11-17)14-4-8-16(20)9-5-14/h4-11,18-20H,1-3,12-13H2.
What are the key properties of N-(5-hydroxypentyl)-4-(4-hydroxyphenyl)benzenesulfonamide?
N-(5-hydroxypentyl)-4-(4-hydroxyphenyl)benzenesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 2.50, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-4-(4-hydroxyphenyl)benzenesulfonamide is sourced from PubChem (CID 11559081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).