N-(5-chloro-2-hydroxyphenyl)-4-fluorobenzenesulfonamide

C12H9ClFNO3S — CID 2239739

IUPACN-(5-chloro-2-hydroxyphenyl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1O)c1ccc(F)cc1
InChIInChI=1S/C12H9ClFNO3S/c13-8-1-6-12(16)11(7-8)15-19(17,18)10-4-2-9(14)3-5-10/h1-7,15-16H
InChIKeyHJIKPUGQHVHOHO-UHFFFAOYSA-N
MW301.73 g/mol
LogP2.99
Rot. Bonds3

About N-(5-chloro-2-hydroxyphenyl)-4-fluorobenzenesulfonamide

N-(5-chloro-2-hydroxyphenyl)-4-fluorobenzenesulfonamide (PubChem CID 2239739) has the molecular formula C12H9ClFNO3S and a molecular weight of 301.73 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-4-fluorobenzenesulfonamide
PubChem CID2239739
Molecular FormulaC12H9ClFNO3S
Molecular Weight301.73 g/mol
Exact Mass301.00
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1O)c1ccc(F)cc1
InChIInChI=1S/C12H9ClFNO3S/c13-8-1-6-12(16)11(7-8)15-19(17,18)10-4-2-9(14)3-5-10/h1-7,15-16H
InChIKeyHJIKPUGQHVHOHO-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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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-4-fluorobenzenesulfonamide (CID 2239739) is N-(5-chloro-2-hydroxyphenyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-4-fluorobenzenesulfonamide is O=S(=O)(Nc1cc(Cl)ccc1O)c1ccc(F)cc1.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-4-fluorobenzenesulfonamide?
The InChIKey is HJIKPUGQHVHOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO3S/c13-8-1-6-12(16)11(7-8)15-19(17,18)10-4-2-9(14)3-5-10/h1-7,15-16H.
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-4-fluorobenzenesulfonamide?
N-(5-chloro-2-hydroxyphenyl)-4-fluorobenzenesulfonamide 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-2-hydroxyphenyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 2239739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).