4-(4-fluorophenyl)-N-(4-hydroxybutyl)benzenesulfonamide

C16H18FNO3S — CID 11602239

IUPAC4-(4-fluorophenyl)-N-(4-hydroxybutyl)benzenesulfonamide
SMILESO=S(=O)(NCCCCO)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C16H18FNO3S/c17-15-7-3-13(4-8-15)14-5-9-16(10-6-14)22(20,21)18-11-1-2-12-19/h3-10,18-19H,1-2,11-12H2
InChIKeyQUMCBWALSNMJBY-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.54
Rot. Bonds7

About 4-(4-fluorophenyl)-N-(4-hydroxybutyl)benzenesulfonamide

4-(4-fluorophenyl)-N-(4-hydroxybutyl)benzenesulfonamide (PubChem CID 11602239) has the molecular formula C16H18FNO3S and a molecular weight of 323.39 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(4-hydroxybutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(4-hydroxybutyl)benzenesulfonamide
PubChem CID11602239
Molecular FormulaC16H18FNO3S
Molecular Weight323.39 g/mol
Exact Mass323.10
IUPAC Name4-(4-fluorophenyl)-N-(4-hydroxybutyl)benzenesulfonamide
SMILESO=S(=O)(NCCCCO)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C16H18FNO3S/c17-15-7-3-13(4-8-15)14-5-9-16(10-6-14)22(20,21)18-11-1-2-12-19/h3-10,18-19H,1-2,11-12H2
InChIKeyQUMCBWALSNMJBY-UHFFFAOYSA-N
XLogP2.54
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.54
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-(4-fluorophenyl)-N-(4-hydroxybutyl)benzenesulfonamide?
The IUPAC name of 4-(4-fluorophenyl)-N-(4-hydroxybutyl)benzenesulfonamide (CID 11602239) is 4-(4-fluorophenyl)-N-(4-hydroxybutyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(4-hydroxybutyl)benzenesulfonamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-(4-hydroxybutyl)benzenesulfonamide is O=S(=O)(NCCCCO)c1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(4-hydroxybutyl)benzenesulfonamide?
The InChIKey is QUMCBWALSNMJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3S/c17-15-7-3-13(4-8-15)14-5-9-16(10-6-14)22(20,21)18-11-1-2-12-19/h3-10,18-19H,1-2,11-12H2.
What are the key properties of 4-(4-fluorophenyl)-N-(4-hydroxybutyl)benzenesulfonamide?
4-(4-fluorophenyl)-N-(4-hydroxybutyl)benzenesulfonamide has a molecular weight of 323.39 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(4-hydroxybutyl)benzenesulfonamide is sourced from PubChem (CID 11602239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).