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

C23H25NO3S — CID 11610936

IUPACN-(5-hydroxypentyl)-4-(4-phenylphenyl)benzenesulfonamide
SMILESO=S(=O)(NCCCCCO)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C23H25NO3S/c25-18-6-2-5-17-24-28(26,27)23-15-13-22(14-16-23)21-11-9-20(10-12-21)19-7-3-1-4-8-19/h1,3-4,7-16,24-25H,2,5-6,17-18H2
InChIKeyFIPBGAHDFVWFAF-UHFFFAOYSA-N
MW395.52 g/mol
LogP4.46
Rot. Bonds9

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

N-(5-hydroxypentyl)-4-(4-phenylphenyl)benzenesulfonamide (PubChem CID 11610936) has the molecular formula C23H25NO3S and a molecular weight of 395.52 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-4-(4-phenylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-4-(4-phenylphenyl)benzenesulfonamide
PubChem CID11610936
Molecular FormulaC23H25NO3S
Molecular Weight395.52 g/mol
Exact Mass395.16
IUPAC NameN-(5-hydroxypentyl)-4-(4-phenylphenyl)benzenesulfonamide
SMILESO=S(=O)(NCCCCCO)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C23H25NO3S/c25-18-6-2-5-17-24-28(26,27)23-15-13-22(14-16-23)21-11-9-20(10-12-21)19-7-3-1-4-8-19/h1,3-4,7-16,24-25H,2,5-6,17-18H2
InChIKeyFIPBGAHDFVWFAF-UHFFFAOYSA-N
XLogP4.46
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.52
LogP ≤ 54.46
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-(4-phenylphenyl)benzenesulfonamide?
The IUPAC name of N-(5-hydroxypentyl)-4-(4-phenylphenyl)benzenesulfonamide (CID 11610936) is N-(5-hydroxypentyl)-4-(4-phenylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(5-hydroxypentyl)-4-(4-phenylphenyl)benzenesulfonamide?
The canonical SMILES for N-(5-hydroxypentyl)-4-(4-phenylphenyl)benzenesulfonamide is O=S(=O)(NCCCCCO)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N-(5-hydroxypentyl)-4-(4-phenylphenyl)benzenesulfonamide?
The InChIKey is FIPBGAHDFVWFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3S/c25-18-6-2-5-17-24-28(26,27)23-15-13-22(14-16-23)21-11-9-20(10-12-21)19-7-3-1-4-8-19/h1,3-4,7-16,24-25H,2,5-6,17-18H2.
What are the key properties of N-(5-hydroxypentyl)-4-(4-phenylphenyl)benzenesulfonamide?
N-(5-hydroxypentyl)-4-(4-phenylphenyl)benzenesulfonamide has a molecular weight of 395.52 g/mol, XLogP of 4.46, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-4-(4-phenylphenyl)benzenesulfonamide is sourced from PubChem (CID 11610936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).