(Z)-3-chloro-2-sulfonatooxyprop-2-enoate

C3HClO6S-2 — CID 59863753

IUPAC(Z)-3-chloro-2-sulfonatooxyprop-2-enoate
SMILESO=C([O-])/C(=C/Cl)OS(=O)(=O)[O-]
InChIInChI=1S/C3H3ClO6S/c4-1-2(3(5)6)10-11(7,8)9/h1H,(H,5,6)(H,7,8,9)/p-2/b2-1-
InChIKeyGUGFEDLCUFMLJC-UPHRSURJSA-L
MW200.55 g/mol
LogP-1.71
Rot. Bonds3

About (Z)-3-chloro-2-sulfonatooxyprop-2-enoate

(Z)-3-chloro-2-sulfonatooxyprop-2-enoate (PubChem CID 59863753) has the molecular formula C3HClO6S-2 and a molecular weight of 200.55 g/mol. Its IUPAC name is (Z)-3-chloro-2-sulfonatooxyprop-2-enoate.

Molecular Properties

Compound Name(Z)-3-chloro-2-sulfonatooxyprop-2-enoate
PubChem CID59863753
Molecular FormulaC3HClO6S-2
Molecular Weight200.55 g/mol
Exact Mass199.92
IUPAC Name(Z)-3-chloro-2-sulfonatooxyprop-2-enoate
SMILESO=C([O-])/C(=C/Cl)OS(=O)(=O)[O-]
InChIInChI=1S/C3H3ClO6S/c4-1-2(3(5)6)10-11(7,8)9/h1H,(H,5,6)(H,7,8,9)/p-2/b2-1-
InChIKeyGUGFEDLCUFMLJC-UPHRSURJSA-L
XLogP-1.71
TPSA106.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.55
LogP ≤ 5-1.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

Analyze (Z)-3-chloro-2-sulfonatooxyprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

potassium hydroxy sulfate
CID 23712892
disodium;sulfonatoformate
CID 87328588
dizinc;oxalate;sulfate
CID 21482692
magnesium oxidooxycarbonyl sulfate
CID 87368845
1-sulfonatooxyethenyl sulfate
CID 22162560
beryllium;potassium;sulfate
CID 20841736
dipotassium;sulfonatooxy sulfate
CID 516926
aluminum;lithium;carbonate;sulfate
CID 159509946
lithium;potassium;sulfonatooxy sulfate
CID 175555490
dipotassium;sulfonatooxy sulfate;sulfuric acid
CID 91756367
dilithium;oxalate;titanium(4+)
CID 173348725
dilithium;potassium;carbonate;fluoride
CID 173436543

Frequently Asked Questions

What is the IUPAC name of (Z)-3-chloro-2-sulfonatooxyprop-2-enoate?
The IUPAC name of (Z)-3-chloro-2-sulfonatooxyprop-2-enoate (CID 59863753) is (Z)-3-chloro-2-sulfonatooxyprop-2-enoate.
What is the SMILES notation for (Z)-3-chloro-2-sulfonatooxyprop-2-enoate?
The canonical SMILES for (Z)-3-chloro-2-sulfonatooxyprop-2-enoate is O=C([O-])/C(=C/Cl)OS(=O)(=O)[O-].
What is the InChIKey of (Z)-3-chloro-2-sulfonatooxyprop-2-enoate?
The InChIKey is GUGFEDLCUFMLJC-UPHRSURJSA-L. The full InChI is InChI=1S/C3H3ClO6S/c4-1-2(3(5)6)10-11(7,8)9/h1H,(H,5,6)(H,7,8,9)/p-2/b2-1-.
What are the key properties of (Z)-3-chloro-2-sulfonatooxyprop-2-enoate?
(Z)-3-chloro-2-sulfonatooxyprop-2-enoate has a molecular weight of 200.55 g/mol, XLogP of -1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-chloro-2-sulfonatooxyprop-2-enoate is sourced from PubChem (CID 59863753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).