2-(4-fluorophenyl)-N-(4-hydroxybutyl)benzenesulfonamide

C16H18FNO3S — CID 11638382

IUPAC2-(4-fluorophenyl)-N-(4-hydroxybutyl)benzenesulfonamide
SMILESO=S(=O)(NCCCCO)c1ccccc1-c1ccc(F)cc1
InChIInChI=1S/C16H18FNO3S/c17-14-9-7-13(8-10-14)15-5-1-2-6-16(15)22(20,21)18-11-3-4-12-19/h1-2,5-10,18-19H,3-4,11-12H2
InChIKeyFYGSVJRMJLIINN-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.54
Rot. Bonds7

About 2-(4-fluorophenyl)-N-(4-hydroxybutyl)benzenesulfonamide

2-(4-fluorophenyl)-N-(4-hydroxybutyl)benzenesulfonamide (PubChem CID 11638382) has the molecular formula C16H18FNO3S and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(4-hydroxybutyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(4-hydroxybutyl)benzenesulfonamide
PubChem CID11638382
Molecular FormulaC16H18FNO3S
Molecular Weight323.39 g/mol
Exact Mass323.10
IUPAC Name2-(4-fluorophenyl)-N-(4-hydroxybutyl)benzenesulfonamide
SMILESO=S(=O)(NCCCCO)c1ccccc1-c1ccc(F)cc1
InChIInChI=1S/C16H18FNO3S/c17-14-9-7-13(8-10-14)15-5-1-2-6-16(15)22(20,21)18-11-3-4-12-19/h1-2,5-10,18-19H,3-4,11-12H2
InChIKeyFYGSVJRMJLIINN-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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Related Compounds

N-(2-hydroxyethyl)-2-phenylbenzenesulfonamide
CID 154485495
N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 106843929
2,3,4-trifluoro-N-(5-hydroxypentyl)benzenesulfonamide
CID 107319503
2-cyano-N-(6-hydroxyhexyl)benzenesulfonamide
CID 103918399
N-(4-hydroxybutyl)-2-methyl-4-phenylbenzenesulfonamide
CID 67243737
N-(4-hydroxybutyl)-4-(2-nitrosophenyl)benzenesulfonamide
CID 89125727
ethyl 4-[(2-phenylphenyl)sulfonylamino]butanoate
CID 134061973
N-(3-bromopropyl)-2-(2-oxo-4-phenyl-3H-1,3-oxazol-5-yl)benzenesulfonamide
CID 18970450
N-hydroxy-7-[[2-[4-(1H-indol-6-yl)phenyl]phenyl]sulfonylamino]heptanamide
CID 87113790
1-[(4-fluorophenyl)methyl]-3-(2-phenylphenyl)sulfonylurea
CID 142661395
3-amino-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
CID 107843457
3-amino-N-(5-hydroxypentyl)-2-methylbenzenesulfonamide
CID 107316310

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(4-hydroxybutyl)benzenesulfonamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(4-hydroxybutyl)benzenesulfonamide (CID 11638382) is 2-(4-fluorophenyl)-N-(4-hydroxybutyl)benzenesulfonamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(4-hydroxybutyl)benzenesulfonamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(4-hydroxybutyl)benzenesulfonamide is O=S(=O)(NCCCCO)c1ccccc1-c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(4-hydroxybutyl)benzenesulfonamide?
The InChIKey is FYGSVJRMJLIINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3S/c17-14-9-7-13(8-10-14)15-5-1-2-6-16(15)22(20,21)18-11-3-4-12-19/h1-2,5-10,18-19H,3-4,11-12H2.
What are the key properties of 2-(4-fluorophenyl)-N-(4-hydroxybutyl)benzenesulfonamide?
2-(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 2-(4-fluorophenyl)-N-(4-hydroxybutyl)benzenesulfonamide is sourced from PubChem (CID 11638382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).