4-bromo-5-fluoro-2-methylbenzenesulfonyl chloride

C7H5BrClFO2S — CID 50997996

IUPAC4-bromo-5-fluoro-2-methylbenzenesulfonyl chloride
SMILESCc1cc(Br)c(F)cc1S(=O)(=O)Cl
InChIInChI=1S/C7H5BrClFO2S/c1-4-2-5(8)6(10)3-7(4)13(9,11)12/h2-3H,1H3
InChIKeyAFFPJHQMSGQUNK-UHFFFAOYSA-N
MW287.54 g/mol
LogP2.82
Rot. Bonds1

About 4-bromo-5-fluoro-2-methylbenzenesulfonyl chloride

4-bromo-5-fluoro-2-methylbenzenesulfonyl chloride (PubChem CID 50997996) has the molecular formula C7H5BrClFO2S and a molecular weight of 287.54 g/mol. Its IUPAC name is 4-bromo-5-fluoro-2-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-bromo-5-fluoro-2-methylbenzenesulfonyl chloride
PubChem CID50997996
Molecular FormulaC7H5BrClFO2S
Molecular Weight287.54 g/mol
Exact Mass285.89
IUPAC Name4-bromo-5-fluoro-2-methylbenzenesulfonyl chloride
SMILESCc1cc(Br)c(F)cc1S(=O)(=O)Cl
InChIInChI=1S/C7H5BrClFO2S/c1-4-2-5(8)6(10)3-7(4)13(9,11)12/h2-3H,1H3
InChIKeyAFFPJHQMSGQUNK-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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-fluoro-2-methylbenzenesulfonyl chloride?
The IUPAC name of 4-bromo-5-fluoro-2-methylbenzenesulfonyl chloride (CID 50997996) is 4-bromo-5-fluoro-2-methylbenzenesulfonyl chloride.
What is the SMILES notation for 4-bromo-5-fluoro-2-methylbenzenesulfonyl chloride?
The canonical SMILES for 4-bromo-5-fluoro-2-methylbenzenesulfonyl chloride is Cc1cc(Br)c(F)cc1S(=O)(=O)Cl.
What is the InChIKey of 4-bromo-5-fluoro-2-methylbenzenesulfonyl chloride?
The InChIKey is AFFPJHQMSGQUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClFO2S/c1-4-2-5(8)6(10)3-7(4)13(9,11)12/h2-3H,1H3.
What are the key properties of 4-bromo-5-fluoro-2-methylbenzenesulfonyl chloride?
4-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 4-bromo-5-fluoro-2-methylbenzenesulfonyl chloride is sourced from PubChem (CID 50997996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).