(3-bromo-4-fluorophenyl)methanesulfonyl chloride

C7H5BrClFO2S — CID 53414429

IUPAC(3-bromo-4-fluorophenyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C7H5BrClFO2S/c8-6-3-5(1-2-7(6)10)4-13(9,11)12/h1-3H,4H2
InChIKeyQPIBXDSHIGUJGD-UHFFFAOYSA-N
MW287.54 g/mol
LogP2.66
Rot. Bonds2

About (3-bromo-4-fluorophenyl)methanesulfonyl chloride

(3-bromo-4-fluorophenyl)methanesulfonyl chloride (PubChem CID 53414429) has the molecular formula C7H5BrClFO2S and a molecular weight of 287.54 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)methanesulfonyl chloride
PubChem CID53414429
Molecular FormulaC7H5BrClFO2S
Molecular Weight287.54 g/mol
Exact Mass285.89
IUPAC Name(3-bromo-4-fluorophenyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C7H5BrClFO2S/c8-6-3-5(1-2-7(6)10)4-13(9,11)12/h1-3H,4H2
InChIKeyQPIBXDSHIGUJGD-UHFFFAOYSA-N
XLogP2.66
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.54
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)methanesulfonyl chloride?
The IUPAC name of (3-bromo-4-fluorophenyl)methanesulfonyl chloride (CID 53414429) is (3-bromo-4-fluorophenyl)methanesulfonyl chloride.
What is the SMILES notation for (3-bromo-4-fluorophenyl)methanesulfonyl chloride?
The canonical SMILES for (3-bromo-4-fluorophenyl)methanesulfonyl chloride is O=S(=O)(Cl)Cc1ccc(F)c(Br)c1.
What is the InChIKey of (3-bromo-4-fluorophenyl)methanesulfonyl chloride?
The InChIKey is QPIBXDSHIGUJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClFO2S/c8-6-3-5(1-2-7(6)10)4-13(9,11)12/h1-3H,4H2.
What are the key properties of (3-bromo-4-fluorophenyl)methanesulfonyl chloride?
(3-bromo-4-fluorophenyl)methanesulfonyl chloride has a molecular weight of 287.54 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)methanesulfonyl chloride is sourced from PubChem (CID 53414429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).