(E)-3-bromoprop-2-ene-1-sulfonyl chloride

C3H4BrClO2S — CID 87271861

IUPAC(E)-3-bromoprop-2-ene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C/C=C/Br
InChIInChI=1S/C3H4BrClO2S/c4-2-1-3-8(5,6)7/h1-2H,3H2/b2-1+
InChIKeyXRVUKQKOWRSTOH-OWOJBTEDSA-N
MW219.49 g/mol
LogP1.46
Rot. Bonds2

About (E)-3-bromoprop-2-ene-1-sulfonyl chloride

(E)-3-bromoprop-2-ene-1-sulfonyl chloride (PubChem CID 87271861) has the molecular formula C3H4BrClO2S and a molecular weight of 219.49 g/mol. Its IUPAC name is (E)-3-bromoprop-2-ene-1-sulfonyl chloride.

Molecular Properties

Compound Name(E)-3-bromoprop-2-ene-1-sulfonyl chloride
PubChem CID87271861
Molecular FormulaC3H4BrClO2S
Molecular Weight219.49 g/mol
Exact Mass217.88
IUPAC Name(E)-3-bromoprop-2-ene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C/C=C/Br
InChIInChI=1S/C3H4BrClO2S/c4-2-1-3-8(5,6)7/h1-2H,3H2/b2-1+
InChIKeyXRVUKQKOWRSTOH-OWOJBTEDSA-N
XLogP1.46
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.49
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-bromoprop-2-ene-1-sulfonyl chloride?
The IUPAC name of (E)-3-bromoprop-2-ene-1-sulfonyl chloride (CID 87271861) is (E)-3-bromoprop-2-ene-1-sulfonyl chloride.
What is the SMILES notation for (E)-3-bromoprop-2-ene-1-sulfonyl chloride?
The canonical SMILES for (E)-3-bromoprop-2-ene-1-sulfonyl chloride is O=S(=O)(Cl)C/C=C/Br.
What is the InChIKey of (E)-3-bromoprop-2-ene-1-sulfonyl chloride?
The InChIKey is XRVUKQKOWRSTOH-OWOJBTEDSA-N. The full InChI is InChI=1S/C3H4BrClO2S/c4-2-1-3-8(5,6)7/h1-2H,3H2/b2-1+.
What are the key properties of (E)-3-bromoprop-2-ene-1-sulfonyl chloride?
(E)-3-bromoprop-2-ene-1-sulfonyl chloride has a molecular weight of 219.49 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-bromoprop-2-ene-1-sulfonyl chloride is sourced from PubChem (CID 87271861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).