(E)-2-(3-bromophenyl)ethenesulfonyl fluoride

C8H6BrFO2S — CID 132502423

IUPAC(E)-2-(3-bromophenyl)ethenesulfonyl fluoride
SMILESO=S(=O)(F)/C=C/c1cccc(Br)c1
InChIInChI=1S/C8H6BrFO2S/c9-8-3-1-2-7(6-8)4-5-13(10,11)12/h1-6H/b5-4+
InChIKeyNRCFHBTVYWBPIC-SNAWJCMRSA-N
MW265.10 g/mol
LogP2.72
Rot. Bonds2

About (E)-2-(3-bromophenyl)ethenesulfonyl fluoride

(E)-2-(3-bromophenyl)ethenesulfonyl fluoride (PubChem CID 132502423) has the molecular formula C8H6BrFO2S and a molecular weight of 265.10 g/mol. Its IUPAC name is (E)-2-(3-bromophenyl)ethenesulfonyl fluoride.

Molecular Properties

Compound Name(E)-2-(3-bromophenyl)ethenesulfonyl fluoride
PubChem CID132502423
Molecular FormulaC8H6BrFO2S
Molecular Weight265.10 g/mol
Exact Mass263.93
IUPAC Name(E)-2-(3-bromophenyl)ethenesulfonyl fluoride
SMILESO=S(=O)(F)/C=C/c1cccc(Br)c1
InChIInChI=1S/C8H6BrFO2S/c9-8-3-1-2-7(6-8)4-5-13(10,11)12/h1-6H/b5-4+
InChIKeyNRCFHBTVYWBPIC-SNAWJCMRSA-N
XLogP2.72
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.10
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(3-bromophenyl)ethenesulfonyl fluoride?
The IUPAC name of (E)-2-(3-bromophenyl)ethenesulfonyl fluoride (CID 132502423) is (E)-2-(3-bromophenyl)ethenesulfonyl fluoride.
What is the SMILES notation for (E)-2-(3-bromophenyl)ethenesulfonyl fluoride?
The canonical SMILES for (E)-2-(3-bromophenyl)ethenesulfonyl fluoride is O=S(=O)(F)/C=C/c1cccc(Br)c1.
What is the InChIKey of (E)-2-(3-bromophenyl)ethenesulfonyl fluoride?
The InChIKey is NRCFHBTVYWBPIC-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H6BrFO2S/c9-8-3-1-2-7(6-8)4-5-13(10,11)12/h1-6H/b5-4+.
What are the key properties of (E)-2-(3-bromophenyl)ethenesulfonyl fluoride?
(E)-2-(3-bromophenyl)ethenesulfonyl fluoride has a molecular weight of 265.10 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(3-bromophenyl)ethenesulfonyl fluoride is sourced from PubChem (CID 132502423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).