6-bromo-3-fluoro-2-hydroxybenzenesulfonyl chloride

C6H3BrClFO3S — CID 130776377

IUPAC6-bromo-3-fluoro-2-hydroxybenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1c(Br)ccc(F)c1O
InChIInChI=1S/C6H3BrClFO3S/c7-3-1-2-4(9)5(10)6(3)13(8,11)12/h1-2,10H
InChIKeyLBYYSBOWAQQLDN-UHFFFAOYSA-N
MW289.51 g/mol
LogP2.22
Rot. Bonds1

About 6-bromo-3-fluoro-2-hydroxybenzenesulfonyl chloride

6-bromo-3-fluoro-2-hydroxybenzenesulfonyl chloride (PubChem CID 130776377) has the molecular formula C6H3BrClFO3S and a molecular weight of 289.51 g/mol. Its IUPAC name is 6-bromo-3-fluoro-2-hydroxybenzenesulfonyl chloride.

Molecular Properties

Compound Name6-bromo-3-fluoro-2-hydroxybenzenesulfonyl chloride
PubChem CID130776377
Molecular FormulaC6H3BrClFO3S
Molecular Weight289.51 g/mol
Exact Mass287.87
IUPAC Name6-bromo-3-fluoro-2-hydroxybenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1c(Br)ccc(F)c1O
InChIInChI=1S/C6H3BrClFO3S/c7-3-1-2-4(9)5(10)6(3)13(8,11)12/h1-2,10H
InChIKeyLBYYSBOWAQQLDN-UHFFFAOYSA-N
XLogP2.22
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.51
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-6-fluorobenzene-1,2-diol
CID 45093034
6-fluoro-2-hydroxy-3-methylbenzenesulfonyl chloride
CID 122199049
6-bromo-3-fluoro-2-iodobenzenesulfonamide
CID 171033070
2-bromo-4-chloro-6-fluorobenzenesulfonyl chloride
CID 50998006
6-bromo-2,3-difluorobenzenesulfonamide
CID 171004866
2-bromo-3-fluoro-6-methylbenzenesulfonyl chloride
CID 130929622
2-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride
CID 84789817
2-cyano-4-fluoro-3-hydroxybenzenesulfonyl chloride
CID 130934083
2-bromo-4-fluoropyridine-3-sulfonyl chloride
CID 131029000
methyl 3-bromo-2-chlorosulfonyl-4-fluorobenzoate
CID 164524306
4-chloro-2,6-difluorobenzenesulfonyl chloride
CID 50998405
3-bromo-2-(difluoromethyl)-6-fluorophenol
CID 130987254

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-fluoro-2-hydroxybenzenesulfonyl chloride?
The IUPAC name of 6-bromo-3-fluoro-2-hydroxybenzenesulfonyl chloride (CID 130776377) is 6-bromo-3-fluoro-2-hydroxybenzenesulfonyl chloride.
What is the SMILES notation for 6-bromo-3-fluoro-2-hydroxybenzenesulfonyl chloride?
The canonical SMILES for 6-bromo-3-fluoro-2-hydroxybenzenesulfonyl chloride is O=S(=O)(Cl)c1c(Br)ccc(F)c1O.
What is the InChIKey of 6-bromo-3-fluoro-2-hydroxybenzenesulfonyl chloride?
The InChIKey is LBYYSBOWAQQLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrClFO3S/c7-3-1-2-4(9)5(10)6(3)13(8,11)12/h1-2,10H.
What are the key properties of 6-bromo-3-fluoro-2-hydroxybenzenesulfonyl chloride?
6-bromo-3-fluoro-2-hydroxybenzenesulfonyl chloride has a molecular weight of 289.51 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-fluoro-2-hydroxybenzenesulfonyl chloride is sourced from PubChem (CID 130776377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).