5-chloro-2-(2-methoxyethoxy)benzenesulfinic acid

C9H11ClO4S — CID 165449360

IUPAC5-chloro-2-(2-methoxyethoxy)benzenesulfinic acid
SMILESCOCCOc1ccc(Cl)cc1S(=O)O
InChIInChI=1S/C9H11ClO4S/c1-13-4-5-14-8-3-2-7(10)6-9(8)15(11)12/h2-3,6H,4-5H2,1H3,(H,11,12)
InChIKeyHVERMWSUJSBKIR-UHFFFAOYSA-N
MW250.70 g/mol
LogP1.95
Rot. Bonds5

About 5-chloro-2-(2-methoxyethoxy)benzenesulfinic acid

5-chloro-2-(2-methoxyethoxy)benzenesulfinic acid (PubChem CID 165449360) has the molecular formula C9H11ClO4S and a molecular weight of 250.70 g/mol. Its IUPAC name is 5-chloro-2-(2-methoxyethoxy)benzenesulfinic acid.

Molecular Properties

Compound Name5-chloro-2-(2-methoxyethoxy)benzenesulfinic acid
PubChem CID165449360
Molecular FormulaC9H11ClO4S
Molecular Weight250.70 g/mol
Exact Mass250.01
IUPAC Name5-chloro-2-(2-methoxyethoxy)benzenesulfinic acid
SMILESCOCCOc1ccc(Cl)cc1S(=O)O
InChIInChI=1S/C9H11ClO4S/c1-13-4-5-14-8-3-2-7(10)6-9(8)15(11)12/h2-3,6H,4-5H2,1H3,(H,11,12)
InChIKeyHVERMWSUJSBKIR-UHFFFAOYSA-N
XLogP1.95
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.70
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze 5-chloro-2-(2-methoxyethoxy)benzenesulfinic acid 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

1-[5-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanone
CID 104563243
1-methoxyethyl 5-chloro-2-(2-methoxyethoxy)benzoate
CID 69018130
2-(bromomethyl)-4-chloro-1-(2-methoxyethoxy)benzene
CID 43142012
5-chloro-2-(4-methoxybutoxy)benzoic acid
CID 104646799
N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonylacetamide
CID 167798625
[3-bromo-4-(2-methoxyethoxy)phenyl]-(4-chlorophenyl)methanone
CID 104657186
N-(3-aminopropyl)-5-chloro-2-(2-methoxyethoxy)benzamide;hydrochloride
CID 119405795
N-[5-chloro-2-(2-methoxyethoxy)phenyl]-3,4,5-trimethoxybenzamide
CID 2980127
sodium 5-fluoro-2-(2-methoxyethoxy)benzenesulfinate
CID 165454527
[5-chloro-2-(4-methoxybutoxy)phenyl]methanol
CID 104647989
(2,4-dichlorophenyl) 4-(2-methoxyethoxy)benzoate
CID 23012898
2-acetamido-5-chlorobenzenesulfinic acid
CID 11356734

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-methoxyethoxy)benzenesulfinic acid?
The IUPAC name of 5-chloro-2-(2-methoxyethoxy)benzenesulfinic acid (CID 165449360) is 5-chloro-2-(2-methoxyethoxy)benzenesulfinic acid.
What is the SMILES notation for 5-chloro-2-(2-methoxyethoxy)benzenesulfinic acid?
The canonical SMILES for 5-chloro-2-(2-methoxyethoxy)benzenesulfinic acid is COCCOc1ccc(Cl)cc1S(=O)O.
What is the InChIKey of 5-chloro-2-(2-methoxyethoxy)benzenesulfinic acid?
The InChIKey is HVERMWSUJSBKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO4S/c1-13-4-5-14-8-3-2-7(10)6-9(8)15(11)12/h2-3,6H,4-5H2,1H3,(H,11,12).
What are the key properties of 5-chloro-2-(2-methoxyethoxy)benzenesulfinic acid?
5-chloro-2-(2-methoxyethoxy)benzenesulfinic acid has a molecular weight of 250.70 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-methoxyethoxy)benzenesulfinic acid is sourced from PubChem (CID 165449360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).