2-(4-bromophenyl)sulfonylacetate

C8H6BrO4S- — CID 7744989

IUPAC2-(4-bromophenyl)sulfonylacetate
SMILESO=C([O-])CS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C8H7BrO4S/c9-6-1-3-7(4-2-6)14(12,13)5-8(10)11/h1-4H,5H2,(H,10,11)/p-1
InChIKeyWPKAKCLFPYNNLQ-UHFFFAOYSA-M
MW278.10 g/mol
LogP-0.03
Rot. Bonds3

About 2-(4-bromophenyl)sulfonylacetate

2-(4-bromophenyl)sulfonylacetate (PubChem CID 7744989) has the molecular formula C8H6BrO4S- and a molecular weight of 278.10 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfonylacetate.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfonylacetate
PubChem CID7744989
Molecular FormulaC8H6BrO4S-
Molecular Weight278.10 g/mol
Exact Mass276.92
IUPAC Name2-(4-bromophenyl)sulfonylacetate
SMILESO=C([O-])CS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C8H7BrO4S/c9-6-1-3-7(4-2-6)14(12,13)5-8(10)11/h1-4H,5H2,(H,10,11)/p-1
InChIKeyWPKAKCLFPYNNLQ-UHFFFAOYSA-M
XLogP-0.03
TPSA74.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.10
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

calcium 2-(4-chlorophenyl)sulfonylacetate
CID 18466443
2-(4-acetylphenyl)sulfonylacetate
CID 23047728
2-(4-bromophenyl)sulfonyl-1-phenylethanone
CID 765822
1-(4-bromophenyl)sulfonyl-3-methoxypropan-2-one
CID 107508460
lithium 2-(4-benzoylphenyl)sulfonylacetate
CID 139892196
2-(4-chlorophenyl)sulfonylacetate;tris(2-hydroxyethyl)azanium
CID 15413161
2,2-dimethylpropyl 2-[4-(4-bromophenyl)phenyl]sulfonylacetate
CID 58623103
2-(4-bromophenyl)sulfonyl-1-(4-ethylphenyl)ethanone
CID 64643722
1-(4-bromophenyl)-3-(4-methylphenyl)sulfonylpropan-2-one
CID 167548064
2-[(4-bromophenyl)sulfonyl-(carboxylatomethyl)amino]acetate
CID 2321785
1-(4-bromophenyl)sulfonyl-3-(2-fluorophenyl)propan-2-one
CID 64643723
2-[4-[(4-bromophenyl)sulfonylmethyl]phenyl]acetic acid
CID 105345555

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfonylacetate?
The IUPAC name of 2-(4-bromophenyl)sulfonylacetate (CID 7744989) is 2-(4-bromophenyl)sulfonylacetate.
What is the SMILES notation for 2-(4-bromophenyl)sulfonylacetate?
The canonical SMILES for 2-(4-bromophenyl)sulfonylacetate is O=C([O-])CS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfonylacetate?
The InChIKey is WPKAKCLFPYNNLQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H7BrO4S/c9-6-1-3-7(4-2-6)14(12,13)5-8(10)11/h1-4H,5H2,(H,10,11)/p-1.
What are the key properties of 2-(4-bromophenyl)sulfonylacetate?
2-(4-bromophenyl)sulfonylacetate has a molecular weight of 278.10 g/mol, XLogP of -0.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfonylacetate is sourced from PubChem (CID 7744989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).