2-bromobenzenesulfonyl fluoride

C6H4BrFO2S — CID 75537242

IUPAC2-bromobenzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccccc1Br
InChIInChI=1S/C6H4BrFO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H
InChIKeyCVLBPNVZAWKPFN-UHFFFAOYSA-N
MW239.06 g/mol
LogP2.11
Rot. Bonds1

About 2-bromobenzenesulfonyl fluoride

2-bromobenzenesulfonyl fluoride (PubChem CID 75537242) has the molecular formula C6H4BrFO2S and a molecular weight of 239.06 g/mol. Its IUPAC name is 2-bromobenzenesulfonyl fluoride.

Molecular Properties

Compound Name2-bromobenzenesulfonyl fluoride
PubChem CID75537242
Molecular FormulaC6H4BrFO2S
Molecular Weight239.06 g/mol
Exact Mass237.91
IUPAC Name2-bromobenzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccccc1Br
InChIInChI=1S/C6H4BrFO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H
InChIKeyCVLBPNVZAWKPFN-UHFFFAOYSA-N
XLogP2.11
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.06
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromobenzenesulfonyl fluoride?
The IUPAC name of 2-bromobenzenesulfonyl fluoride (CID 75537242) is 2-bromobenzenesulfonyl fluoride.
What is the SMILES notation for 2-bromobenzenesulfonyl fluoride?
The canonical SMILES for 2-bromobenzenesulfonyl fluoride is O=S(=O)(F)c1ccccc1Br.
What is the InChIKey of 2-bromobenzenesulfonyl fluoride?
The InChIKey is CVLBPNVZAWKPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrFO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H.
What are the key properties of 2-bromobenzenesulfonyl fluoride?
2-bromobenzenesulfonyl fluoride has a molecular weight of 239.06 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromobenzenesulfonyl fluoride is sourced from PubChem (CID 75537242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).