4-fluoro-N-(4-hydroxyphenyl)benzenesulfonamide

C12H10FNO3S — CID 764850

IUPAC4-fluoro-N-(4-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(O)cc1)c1ccc(F)cc1
InChIInChI=1S/C12H10FNO3S/c13-9-1-7-12(8-2-9)18(16,17)14-10-3-5-11(15)6-4-10/h1-8,14-15H
InChIKeyBJEZQBZYTAKYBC-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.33
Rot. Bonds3

About 4-fluoro-N-(4-hydroxyphenyl)benzenesulfonamide

4-fluoro-N-(4-hydroxyphenyl)benzenesulfonamide (PubChem CID 764850) has the molecular formula C12H10FNO3S and a molecular weight of 267.28 g/mol. Its IUPAC name is 4-fluoro-N-(4-hydroxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(4-hydroxyphenyl)benzenesulfonamide
PubChem CID764850
Molecular FormulaC12H10FNO3S
Molecular Weight267.28 g/mol
Exact Mass267.04
IUPAC Name4-fluoro-N-(4-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(O)cc1)c1ccc(F)cc1
InChIInChI=1S/C12H10FNO3S/c13-9-1-7-12(8-2-9)18(16,17)14-10-3-5-11(15)6-4-10/h1-8,14-15H
InChIKeyBJEZQBZYTAKYBC-UHFFFAOYSA-N
XLogP2.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(4-hydroxyphenyl)benzenesulfonamide
CID 875203
4-[(4-fluorophenyl)sulfamoyl]benzoic acid
CID 2345459
N-(4-hydroxyphenyl)-4-[4-[(4-hydroxyphenyl)sulfamoyl]phenoxy]benzenesulfonamide
CID 129257793
4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 2098781
4-fluoro-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]benzenesulfonamide
CID 86814929
N-[4-(bromomethyl)phenyl]-4-fluorobenzenesulfonamide
CID 18629013
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid
CID 672063
4-[(4-fluorophenyl)sulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide
CID 1164234
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]ethanethioamide
CID 62306143
4-chloro-N-[4-(4-fluorobenzoyl)phenyl]benzenesulfonamide
CID 1375859
N-[4-(2-bromoacetyl)phenyl]-4-fluorobenzenesulfonamide
CID 4737379
N-[4-(4-fluorobenzoyl)phenyl]benzenesulfonamide
CID 21205051

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-hydroxyphenyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(4-hydroxyphenyl)benzenesulfonamide (CID 764850) is 4-fluoro-N-(4-hydroxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(4-hydroxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(4-hydroxyphenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(O)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(4-hydroxyphenyl)benzenesulfonamide?
The InChIKey is BJEZQBZYTAKYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3S/c13-9-1-7-12(8-2-9)18(16,17)14-10-3-5-11(15)6-4-10/h1-8,14-15H.
What are the key properties of 4-fluoro-N-(4-hydroxyphenyl)benzenesulfonamide?
4-fluoro-N-(4-hydroxyphenyl)benzenesulfonamide has a molecular weight of 267.28 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-hydroxyphenyl)benzenesulfonamide is sourced from PubChem (CID 764850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).