5-fluoro-2-methylbenzenesulfonyl bromide

C7H6BrFO2S — CID 130493596

IUPAC5-fluoro-2-methylbenzenesulfonyl bromide
SMILESCc1ccc(F)cc1S(=O)(=O)Br
InChIInChI=1S/C7H6BrFO2S/c1-5-2-3-6(9)4-7(5)12(8,10)11/h2-4H,1H3
InChIKeyXOXFIAWNRNCZSQ-UHFFFAOYSA-N
MW253.09 g/mol
LogP2.22
Rot. Bonds1

About 5-fluoro-2-methylbenzenesulfonyl bromide

5-fluoro-2-methylbenzenesulfonyl bromide (PubChem CID 130493596) has the molecular formula C7H6BrFO2S and a molecular weight of 253.09 g/mol. Its IUPAC name is 5-fluoro-2-methylbenzenesulfonyl bromide.

Molecular Properties

Compound Name5-fluoro-2-methylbenzenesulfonyl bromide
PubChem CID130493596
Molecular FormulaC7H6BrFO2S
Molecular Weight253.09 g/mol
Exact Mass251.93
IUPAC Name5-fluoro-2-methylbenzenesulfonyl bromide
SMILESCc1ccc(F)cc1S(=O)(=O)Br
InChIInChI=1S/C7H6BrFO2S/c1-5-2-3-6(9)4-7(5)12(8,10)11/h2-4H,1H3
InChIKeyXOXFIAWNRNCZSQ-UHFFFAOYSA-N
XLogP2.22
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.09
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methylbenzenesulfonamide
CID 6924
4-Methylbenzenesulfonyl fluoride
CID 9965
4-Toluenesulfonyl chloride
CID 7397
2-(Trifluoromethyl)benzenesulfonamide
CID 2778018
Sodium 4-methylbenzenesulfonate
CID 3720192
o-Toluenesulfonyl chloride
CID 8623
Sodium p-toluenesulfinate
CID 2723791
p-Toluenesulfonate
CID 85570
Potassium Toluenesulfonate
CID 23689124
2-Methylbenzenesulfonic acid
CID 6925
Benzenesulfonyl chloride, 2,5-dimethyl-
CID 87910
2-Trifluoromethylbenzenesulphonyl chloride
CID 136616

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methylbenzenesulfonyl bromide?
The IUPAC name of 5-fluoro-2-methylbenzenesulfonyl bromide (CID 130493596) is 5-fluoro-2-methylbenzenesulfonyl bromide.
What is the SMILES notation for 5-fluoro-2-methylbenzenesulfonyl bromide?
The canonical SMILES for 5-fluoro-2-methylbenzenesulfonyl bromide is Cc1ccc(F)cc1S(=O)(=O)Br.
What is the InChIKey of 5-fluoro-2-methylbenzenesulfonyl bromide?
The InChIKey is XOXFIAWNRNCZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrFO2S/c1-5-2-3-6(9)4-7(5)12(8,10)11/h2-4H,1H3.
What are the key properties of 5-fluoro-2-methylbenzenesulfonyl bromide?
5-fluoro-2-methylbenzenesulfonyl bromide has a molecular weight of 253.09 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methylbenzenesulfonyl bromide is sourced from PubChem (CID 130493596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).