N-(5-hydroxypentyl)-4-phenylbenzenesulfonamide

C17H21NO3S — CID 11609430

IUPACN-(5-hydroxypentyl)-4-phenylbenzenesulfonamide
SMILESO=S(=O)(NCCCCCO)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H21NO3S/c19-14-6-2-5-13-18-22(20,21)17-11-9-16(10-12-17)15-7-3-1-4-8-15/h1,3-4,7-12,18-19H,2,5-6,13-14H2
InChIKeyRCWVTGQAGLIJJK-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.79
Rot. Bonds8

About N-(5-hydroxypentyl)-4-phenylbenzenesulfonamide

N-(5-hydroxypentyl)-4-phenylbenzenesulfonamide (PubChem CID 11609430) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-4-phenylbenzenesulfonamide
PubChem CID11609430
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-(5-hydroxypentyl)-4-phenylbenzenesulfonamide
SMILESO=S(=O)(NCCCCCO)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H21NO3S/c19-14-6-2-5-13-18-22(20,21)17-11-9-16(10-12-17)15-7-3-1-4-8-15/h1,3-4,7-12,18-19H,2,5-6,13-14H2
InChIKeyRCWVTGQAGLIJJK-UHFFFAOYSA-N
XLogP2.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.79
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 N-(5-hydroxypentyl)-4-phenylbenzenesulfonamide?
The IUPAC name of N-(5-hydroxypentyl)-4-phenylbenzenesulfonamide (CID 11609430) is N-(5-hydroxypentyl)-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-(5-hydroxypentyl)-4-phenylbenzenesulfonamide?
The canonical SMILES for N-(5-hydroxypentyl)-4-phenylbenzenesulfonamide is O=S(=O)(NCCCCCO)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(5-hydroxypentyl)-4-phenylbenzenesulfonamide?
The InChIKey is RCWVTGQAGLIJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c19-14-6-2-5-13-18-22(20,21)17-11-9-16(10-12-17)15-7-3-1-4-8-15/h1,3-4,7-12,18-19H,2,5-6,13-14H2.
What are the key properties of N-(5-hydroxypentyl)-4-phenylbenzenesulfonamide?
N-(5-hydroxypentyl)-4-phenylbenzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-4-phenylbenzenesulfonamide is sourced from PubChem (CID 11609430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).