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

C9H7BrClFO2S — CID 175187482

IUPAC3-(3-bromo-4-chlorophenyl)prop-2-ene-1-sulfonyl fluoride
SMILESO=S(=O)(F)CC=Cc1ccc(Cl)c(Br)c1
InChIInChI=1S/C9H7BrClFO2S/c10-8-6-7(3-4-9(8)11)2-1-5-15(12,13)14/h1-4,6H,5H2
InChIKeyUDQGCQLCEQHSIM-UHFFFAOYSA-N
MW313.58 g/mol
LogP3.41
Rot. Bonds3

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

3-(3-bromo-4-chlorophenyl)prop-2-ene-1-sulfonyl fluoride (PubChem CID 175187482) has the molecular formula C9H7BrClFO2S and a molecular weight of 313.58 g/mol. Its IUPAC name is 3-(3-bromo-4-chlorophenyl)prop-2-ene-1-sulfonyl fluoride.

Molecular Properties

Compound Name3-(3-bromo-4-chlorophenyl)prop-2-ene-1-sulfonyl fluoride
PubChem CID175187482
Molecular FormulaC9H7BrClFO2S
Molecular Weight313.58 g/mol
Exact Mass311.90
IUPAC Name3-(3-bromo-4-chlorophenyl)prop-2-ene-1-sulfonyl fluoride
SMILESO=S(=O)(F)CC=Cc1ccc(Cl)c(Br)c1
InChIInChI=1S/C9H7BrClFO2S/c10-8-6-7(3-4-9(8)11)2-1-5-15(12,13)14/h1-4,6H,5H2
InChIKeyUDQGCQLCEQHSIM-UHFFFAOYSA-N
XLogP3.41
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.58
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-Bromo-4-chlorophenyl)methanesulfonyl chloride
CID 71683197
(4-Bromo-3-chlorophenyl)methanesulfonyl chloride
CID 83748716
(2-Bromo-3-chlorophenyl)methanesulfonamide
CID 132316036
(4-Bromo-3-chlorophenyl)methanesulfonyl fluoride
CID 165519161
(3-Bromo-2-chloro-6-fluorophenyl)methanesulfonic acid
CID 87086597
(3-Bromo-2-chloro-6-fluorophenyl)methanesulfonyl chloride
CID 87086652
3-Bromo-3-(4-chlorophenyl)prop-2-ene-1-sulfonyl fluoride
CID 162718605
1-(4-Bromo-3-chlorophenyl)-2,2,2-trifluoroethanesulfonyl chloride
CID 108394946
1-(5-Bromo-2-chlorophenyl)-2,2,2-trifluoroethanesulfonyl chloride
CID 108394951
1-(2-Bromo-4-chlorophenyl)-2,2,2-trifluoroethanesulfonyl chloride
CID 114827470
1-(3-Bromo-4-chlorophenyl)-2,2,2-trifluoroethanesulfonyl chloride
CID 114827545
1-(3-Bromo-4-chlorophenyl)-2,2,2-trifluoroethanesulfonamide
CID 114827663

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-chlorophenyl)prop-2-ene-1-sulfonyl fluoride?
The IUPAC name of 3-(3-bromo-4-chlorophenyl)prop-2-ene-1-sulfonyl fluoride (CID 175187482) is 3-(3-bromo-4-chlorophenyl)prop-2-ene-1-sulfonyl fluoride.
What is the SMILES notation for 3-(3-bromo-4-chlorophenyl)prop-2-ene-1-sulfonyl fluoride?
The canonical SMILES for 3-(3-bromo-4-chlorophenyl)prop-2-ene-1-sulfonyl fluoride is O=S(=O)(F)CC=Cc1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-(3-bromo-4-chlorophenyl)prop-2-ene-1-sulfonyl fluoride?
The InChIKey is UDQGCQLCEQHSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClFO2S/c10-8-6-7(3-4-9(8)11)2-1-5-15(12,13)14/h1-4,6H,5H2.
What are the key properties of 3-(3-bromo-4-chlorophenyl)prop-2-ene-1-sulfonyl fluoride?
3-(3-bromo-4-chlorophenyl)prop-2-ene-1-sulfonyl fluoride has a molecular weight of 313.58 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-chlorophenyl)prop-2-ene-1-sulfonyl fluoride is sourced from PubChem (CID 175187482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).