2-bromo-3-fluoro-6-methylbenzenesulfonyl chloride

C7H5BrClFO2S — CID 130929622

IUPAC2-bromo-3-fluoro-6-methylbenzenesulfonyl chloride
SMILESCc1ccc(F)c(Br)c1S(=O)(=O)Cl
InChIInChI=1S/C7H5BrClFO2S/c1-4-2-3-5(10)6(8)7(4)13(9,11)12/h2-3H,1H3
InChIKeyITKVQIXBTRTENO-UHFFFAOYSA-N
MW287.54 g/mol
LogP2.82
Rot. Bonds1

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

2-bromo-3-fluoro-6-methylbenzenesulfonyl chloride (PubChem CID 130929622) has the molecular formula C7H5BrClFO2S and a molecular weight of 287.54 g/mol. Its IUPAC name is 2-bromo-3-fluoro-6-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name2-bromo-3-fluoro-6-methylbenzenesulfonyl chloride
PubChem CID130929622
Molecular FormulaC7H5BrClFO2S
Molecular Weight287.54 g/mol
Exact Mass285.89
IUPAC Name2-bromo-3-fluoro-6-methylbenzenesulfonyl chloride
SMILESCc1ccc(F)c(Br)c1S(=O)(=O)Cl
InChIInChI=1S/C7H5BrClFO2S/c1-4-2-3-5(10)6(8)7(4)13(9,11)12/h2-3H,1H3
InChIKeyITKVQIXBTRTENO-UHFFFAOYSA-N
XLogP2.82
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.54
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-2-hydroxy-3-methylbenzenesulfonyl chloride
CID 122199049
methyl 3-bromo-2-chlorosulfonyl-4-fluorobenzoate
CID 164524306
2-bromo-3-fluoro-6-nitrobenzenesulfonyl chloride
CID 171029859
2-chloro-3,6-dimethylbenzenesulfonyl chloride
CID 84799463
2-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride
CID 84789817
3-chloro-2,6-dimethylbenzenesulfonyl chloride
CID 84701107
2-bromo-3-fluoro-6-methylbenzoyl chloride
CID 171033248
6-bromo-3-fluoro-2-hydroxybenzenesulfonyl chloride
CID 130776377
2-bromo-4-chloro-6-fluorobenzenesulfonyl chloride
CID 50998006
2-bromo-4-fluoropyridine-3-sulfonyl chloride
CID 131029000
2-bromo-3-iodo-4-methylbenzenesulfonyl chloride
CID 154427198
2-methylnaphthalene-1-sulfonyl chloride
CID 18388568

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-fluoro-6-methylbenzenesulfonyl chloride?
The IUPAC name of 2-bromo-3-fluoro-6-methylbenzenesulfonyl chloride (CID 130929622) is 2-bromo-3-fluoro-6-methylbenzenesulfonyl chloride.
What is the SMILES notation for 2-bromo-3-fluoro-6-methylbenzenesulfonyl chloride?
The canonical SMILES for 2-bromo-3-fluoro-6-methylbenzenesulfonyl chloride is Cc1ccc(F)c(Br)c1S(=O)(=O)Cl.
What is the InChIKey of 2-bromo-3-fluoro-6-methylbenzenesulfonyl chloride?
The InChIKey is ITKVQIXBTRTENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClFO2S/c1-4-2-3-5(10)6(8)7(4)13(9,11)12/h2-3H,1H3.
What are the key properties of 2-bromo-3-fluoro-6-methylbenzenesulfonyl chloride?
2-bromo-3-fluoro-6-methylbenzenesulfonyl chloride has a molecular weight of 287.54 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-fluoro-6-methylbenzenesulfonyl chloride is sourced from PubChem (CID 130929622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).