3-bromo-3-(4-chlorophenyl)prop-2-ene-1-sulfonyl fluoride

C9H7BrClFO2S — CID 162718605

IUPAC3-bromo-3-(4-chlorophenyl)prop-2-ene-1-sulfonyl fluoride
SMILESO=S(=O)(F)CC=C(Br)c1ccc(Cl)cc1
InChIInChI=1S/C9H7BrClFO2S/c10-9(5-6-15(12,13)14)7-1-3-8(11)4-2-7/h1-5H,6H2
InChIKeyQRFGGCVBXNKMAG-UHFFFAOYSA-N
MW313.57 g/mol
LogP3.38
Rot. Bonds3

About 3-bromo-3-(4-chlorophenyl)prop-2-ene-1-sulfonyl fluoride

3-bromo-3-(4-chlorophenyl)prop-2-ene-1-sulfonyl fluoride (PubChem CID 162718605) has the molecular formula C9H7BrClFO2S and a molecular weight of 313.57 g/mol. Its IUPAC name is 3-bromo-3-(4-chlorophenyl)prop-2-ene-1-sulfonyl fluoride.

Molecular Properties

Compound Name3-bromo-3-(4-chlorophenyl)prop-2-ene-1-sulfonyl fluoride
PubChem CID162718605
Molecular FormulaC9H7BrClFO2S
Molecular Weight313.57 g/mol
Exact Mass311.90
IUPAC Name3-bromo-3-(4-chlorophenyl)prop-2-ene-1-sulfonyl fluoride
SMILESO=S(=O)(F)CC=C(Br)c1ccc(Cl)cc1
InChIInChI=1S/C9H7BrClFO2S/c10-9(5-6-15(12,13)14)7-1-3-8(11)4-2-7/h1-5H,6H2
InChIKeyQRFGGCVBXNKMAG-UHFFFAOYSA-N
XLogP3.38
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.57
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

p-Chlorobenzyl vinyl sulfone
CID 99234
(E)-2-(4-chlorophenyl)ethene-1-sulfonyl fluoride
CID 121553280
(4-Chlorophenyl)methanesulfonyl chloride
CID 227304
Sulfone, p-chlorobenzyl methyl
CID 6453790
2-(4-Chlorophenyl)ethane-1-sulfonyl chloride
CID 2757780
2-(4-Chlorophenyl)ethane-1-sulfonamide
CID 17803495
Benzene, 1-chloro-4-((2-(methylsulfonyl)ethenyl)-
CID 5463475
(E)-2-(4-chlorophenyl)ethene-1-sulfonyl chloride
CID 5938154
(4-Chloro-3-fluorophenyl)methanesulfonyl chloride
CID 53401428
(2-Bromo-4-chlorophenyl)methanesulfonyl chloride
CID 71683197
(4-Chlorophenyl)methanesulfinic acid sodium hydride
CID 101182783
(4-Bromo-3-chlorophenyl)methanesulfonyl fluoride
CID 165519161

Frequently Asked Questions

What is the IUPAC name of 3-bromo-3-(4-chlorophenyl)prop-2-ene-1-sulfonyl fluoride?
The IUPAC name of 3-bromo-3-(4-chlorophenyl)prop-2-ene-1-sulfonyl fluoride (CID 162718605) is 3-bromo-3-(4-chlorophenyl)prop-2-ene-1-sulfonyl fluoride.
What is the SMILES notation for 3-bromo-3-(4-chlorophenyl)prop-2-ene-1-sulfonyl fluoride?
The canonical SMILES for 3-bromo-3-(4-chlorophenyl)prop-2-ene-1-sulfonyl fluoride is O=S(=O)(F)CC=C(Br)c1ccc(Cl)cc1.
What is the InChIKey of 3-bromo-3-(4-chlorophenyl)prop-2-ene-1-sulfonyl fluoride?
The InChIKey is QRFGGCVBXNKMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClFO2S/c10-9(5-6-15(12,13)14)7-1-3-8(11)4-2-7/h1-5H,6H2.
What are the key properties of 3-bromo-3-(4-chlorophenyl)prop-2-ene-1-sulfonyl fluoride?
3-bromo-3-(4-chlorophenyl)prop-2-ene-1-sulfonyl fluoride has a molecular weight of 313.57 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-3-(4-chlorophenyl)prop-2-ene-1-sulfonyl fluoride is sourced from PubChem (CID 162718605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).