3-(4-bromophenyl)prop-1-ene-2-sulfonyl chloride

C9H8BrClO2S — CID 117266598

IUPAC3-(4-bromophenyl)prop-1-ene-2-sulfonyl chloride
SMILESC=C(Cc1ccc(Br)cc1)S(=O)(=O)Cl
InChIInChI=1S/C9H8BrClO2S/c1-7(14(11,12)13)6-8-2-4-9(10)5-3-8/h2-5H,1,6H2
InChIKeySVQHNVJZDXDVQG-UHFFFAOYSA-N
MW295.59 g/mol
LogP3.07
Rot. Bonds3

About 3-(4-bromophenyl)prop-1-ene-2-sulfonyl chloride

3-(4-bromophenyl)prop-1-ene-2-sulfonyl chloride (PubChem CID 117266598) has the molecular formula C9H8BrClO2S and a molecular weight of 295.59 g/mol. Its IUPAC name is 3-(4-bromophenyl)prop-1-ene-2-sulfonyl chloride.

Molecular Properties

Compound Name3-(4-bromophenyl)prop-1-ene-2-sulfonyl chloride
PubChem CID117266598
Molecular FormulaC9H8BrClO2S
Molecular Weight295.59 g/mol
Exact Mass293.91
IUPAC Name3-(4-bromophenyl)prop-1-ene-2-sulfonyl chloride
SMILESC=C(Cc1ccc(Br)cc1)S(=O)(=O)Cl
InChIInChI=1S/C9H8BrClO2S/c1-7(14(11,12)13)6-8-2-4-9(10)5-3-8/h2-5H,1,6H2
InChIKeySVQHNVJZDXDVQG-UHFFFAOYSA-N
XLogP3.07
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.59
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)prop-1-ene-2-sulfonyl chloride?
The IUPAC name of 3-(4-bromophenyl)prop-1-ene-2-sulfonyl chloride (CID 117266598) is 3-(4-bromophenyl)prop-1-ene-2-sulfonyl chloride.
What is the SMILES notation for 3-(4-bromophenyl)prop-1-ene-2-sulfonyl chloride?
The canonical SMILES for 3-(4-bromophenyl)prop-1-ene-2-sulfonyl chloride is C=C(Cc1ccc(Br)cc1)S(=O)(=O)Cl.
What is the InChIKey of 3-(4-bromophenyl)prop-1-ene-2-sulfonyl chloride?
The InChIKey is SVQHNVJZDXDVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClO2S/c1-7(14(11,12)13)6-8-2-4-9(10)5-3-8/h2-5H,1,6H2.
What are the key properties of 3-(4-bromophenyl)prop-1-ene-2-sulfonyl chloride?
3-(4-bromophenyl)prop-1-ene-2-sulfonyl chloride has a molecular weight of 295.59 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)prop-1-ene-2-sulfonyl chloride is sourced from PubChem (CID 117266598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).