3-bromo-5-fluoro-2-methylbenzenesulfonyl chloride

C7H5BrClFO2S — CID 84715523

IUPAC3-bromo-5-fluoro-2-methylbenzenesulfonyl chloride
SMILESCc1c(Br)cc(F)cc1S(=O)(=O)Cl
InChIInChI=1S/C7H5BrClFO2S/c1-4-6(8)2-5(10)3-7(4)13(9,11)12/h2-3H,1H3
InChIKeyKQNCSZFBQBKVRJ-UHFFFAOYSA-N
MW287.54 g/mol
LogP2.82
Rot. Bonds1

About 3-bromo-5-fluoro-2-methylbenzenesulfonyl chloride

3-bromo-5-fluoro-2-methylbenzenesulfonyl chloride (PubChem CID 84715523) has the molecular formula C7H5BrClFO2S and a molecular weight of 287.54 g/mol. Its IUPAC name is 3-bromo-5-fluoro-2-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name3-bromo-5-fluoro-2-methylbenzenesulfonyl chloride
PubChem CID84715523
Molecular FormulaC7H5BrClFO2S
Molecular Weight287.54 g/mol
Exact Mass285.89
IUPAC Name3-bromo-5-fluoro-2-methylbenzenesulfonyl chloride
SMILESCc1c(Br)cc(F)cc1S(=O)(=O)Cl
InChIInChI=1S/C7H5BrClFO2S/c1-4-6(8)2-5(10)3-7(4)13(9,11)12/h2-3H,1H3
InChIKeyKQNCSZFBQBKVRJ-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

5-fluoro-2,3-dimethylbenzenesulfonyl chloride
CID 130840588
3-bromo-2,5-difluorobenzenesulfonyl chloride
CID 54379847
5-bromo-3-chlorosulfonyl-2-fluoro-6-methylbenzoic acid
CID 90044742
2,4-dibromo-5-methylbenzenesulfonyl chloride
CID 171002124
2-bromo-5-fluoro-3-(methylcarbamoyl)benzenesulfonyl chloride
CID 65367980
3-(azepane-1-carbonyl)-5-fluoro-2-methylbenzenesulfonyl chloride
CID 65367533
2,3,5-trimethylbenzenesulfonyl chloride
CID 87650117
4-bromo-3-chloro-2-methylbenzenesulfonyl chloride
CID 50998046
2-bromo-5-methylbenzenesulfonyl chloride
CID 15155338
3-[ethyl(propyl)carbamoyl]-5-fluoro-2-methylbenzenesulfonyl chloride
CID 65371849
3-bromo-5-(3,4-dimethylpyrrolidine-1-carbonyl)-2-methylbenzenesulfonyl chloride
CID 81479645
3-acetyl-2,5-difluorobenzenesulfonyl chloride
CID 43118897

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-2-methylbenzenesulfonyl chloride?
The IUPAC name of 3-bromo-5-fluoro-2-methylbenzenesulfonyl chloride (CID 84715523) is 3-bromo-5-fluoro-2-methylbenzenesulfonyl chloride.
What is the SMILES notation for 3-bromo-5-fluoro-2-methylbenzenesulfonyl chloride?
The canonical SMILES for 3-bromo-5-fluoro-2-methylbenzenesulfonyl chloride is Cc1c(Br)cc(F)cc1S(=O)(=O)Cl.
What is the InChIKey of 3-bromo-5-fluoro-2-methylbenzenesulfonyl chloride?
The InChIKey is KQNCSZFBQBKVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClFO2S/c1-4-6(8)2-5(10)3-7(4)13(9,11)12/h2-3H,1H3.
What are the key properties of 3-bromo-5-fluoro-2-methylbenzenesulfonyl chloride?
3-bromo-5-fluoro-2-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 3-bromo-5-fluoro-2-methylbenzenesulfonyl chloride is sourced from PubChem (CID 84715523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).