N-(5-chloro-4-fluoro-2-hydroxyphenyl)benzenesulfonamide

C12H9ClFNO3S — CID 82720133

IUPACN-(5-chloro-4-fluoro-2-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(F)cc1O)c1ccccc1
InChIInChI=1S/C12H9ClFNO3S/c13-9-6-11(12(16)7-10(9)14)15-19(17,18)8-4-2-1-3-5-8/h1-7,15-16H
InChIKeyZUTRIBLPIOPMTH-UHFFFAOYSA-N
MW301.73 g/mol
LogP2.99
Rot. Bonds3

About N-(5-chloro-4-fluoro-2-hydroxyphenyl)benzenesulfonamide

N-(5-chloro-4-fluoro-2-hydroxyphenyl)benzenesulfonamide (PubChem CID 82720133) has the molecular formula C12H9ClFNO3S and a molecular weight of 301.73 g/mol. Its IUPAC name is N-(5-chloro-4-fluoro-2-hydroxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-4-fluoro-2-hydroxyphenyl)benzenesulfonamide
PubChem CID82720133
Molecular FormulaC12H9ClFNO3S
Molecular Weight301.73 g/mol
Exact Mass301.00
IUPAC NameN-(5-chloro-4-fluoro-2-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(F)cc1O)c1ccccc1
InChIInChI=1S/C12H9ClFNO3S/c13-9-6-11(12(16)7-10(9)14)15-19(17,18)8-4-2-1-3-5-8/h1-7,15-16H
InChIKeyZUTRIBLPIOPMTH-UHFFFAOYSA-N
XLogP2.99
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-4-fluoro-2-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 82719616
N-(5-chloro-4-fluoro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 82721249
N-(5-chloro-4-fluoro-2-hydroxyphenyl)-3-cyanobenzenesulfonamide
CID 82722836
N-[4-(benzenesulfonamido)-2-chloro-5-hydroxyphenyl]acetamide
CID 22719116
N-(5-chloro-4-fluoro-2-hydroxyphenyl)-2,4-dimethylbenzenesulfonamide
CID 82722720
N-[3-(benzenesulfonamido)-5-chloro-4-hydroxyphenyl]benzenesulfonamide
CID 2293499
N-[5-(benzenesulfonamido)-4-fluoro-2-methylphenyl]benzenesulfonamide
CID 19431161
N-(5-bromo-2-chlorophenyl)benzenesulfonamide
CID 62909796
N-[4-(benzenesulfonamido)-2,6-dichloro-3-hydroxyphenyl]acetamide
CID 22719120
N-[2-(benzenesulfonamido)-4-fluorophenyl]benzenesulfonamide
CID 70139608
4-chloro-N-(3-chloro-2-hydroxyphenyl)benzenesulfonamide
CID 78995718
N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide
CID 113443382

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-fluoro-2-hydroxyphenyl)benzenesulfonamide?
The IUPAC name of N-(5-chloro-4-fluoro-2-hydroxyphenyl)benzenesulfonamide (CID 82720133) is N-(5-chloro-4-fluoro-2-hydroxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-(5-chloro-4-fluoro-2-hydroxyphenyl)benzenesulfonamide?
The canonical SMILES for N-(5-chloro-4-fluoro-2-hydroxyphenyl)benzenesulfonamide is O=S(=O)(Nc1cc(Cl)c(F)cc1O)c1ccccc1.
What is the InChIKey of N-(5-chloro-4-fluoro-2-hydroxyphenyl)benzenesulfonamide?
The InChIKey is ZUTRIBLPIOPMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO3S/c13-9-6-11(12(16)7-10(9)14)15-19(17,18)8-4-2-1-3-5-8/h1-7,15-16H.
What are the key properties of N-(5-chloro-4-fluoro-2-hydroxyphenyl)benzenesulfonamide?
N-(5-chloro-4-fluoro-2-hydroxyphenyl)benzenesulfonamide has a molecular weight of 301.73 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-fluoro-2-hydroxyphenyl)benzenesulfonamide is sourced from PubChem (CID 82720133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).