2-methoxyethyl 2,5-dichloro-3-sulfamoylbenzoate

C10H11Cl2NO5S — CID 65380265

IUPAC2-methoxyethyl 2,5-dichloro-3-sulfamoylbenzoate
SMILESCOCCOC(=O)c1cc(Cl)cc(S(N)(=O)=O)c1Cl
InChIInChI=1S/C10H11Cl2NO5S/c1-17-2-3-18-10(14)7-4-6(11)5-8(9(7)12)19(13,15)16/h4-5H,2-3H2,1H3,(H2,13,15,16)
InChIKeyFBTOELJBJYMKQY-UHFFFAOYSA-N
MW328.17 g/mol
LogP1.44
Rot. Bonds5

About 2-methoxyethyl 2,5-dichloro-3-sulfamoylbenzoate

2-methoxyethyl 2,5-dichloro-3-sulfamoylbenzoate (PubChem CID 65380265) has the molecular formula C10H11Cl2NO5S and a molecular weight of 328.17 g/mol. Its IUPAC name is 2-methoxyethyl 2,5-dichloro-3-sulfamoylbenzoate.

Molecular Properties

Compound Name2-methoxyethyl 2,5-dichloro-3-sulfamoylbenzoate
PubChem CID65380265
Molecular FormulaC10H11Cl2NO5S
Molecular Weight328.17 g/mol
Exact Mass326.97
IUPAC Name2-methoxyethyl 2,5-dichloro-3-sulfamoylbenzoate
SMILESCOCCOC(=O)c1cc(Cl)cc(S(N)(=O)=O)c1Cl
InChIInChI=1S/C10H11Cl2NO5S/c1-17-2-3-18-10(14)7-4-6(11)5-8(9(7)12)19(13,15)16/h4-5H,2-3H2,1H3,(H2,13,15,16)
InChIKeyFBTOELJBJYMKQY-UHFFFAOYSA-N
XLogP1.44
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methoxyethyl 2,5-dichloro-3-sulfamoylbenzoate 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

2-propoxyethyl 2,5-dichloro-3-chlorosulfonylbenzoate
CID 65373182
2-propoxyethyl 5-chloro-2-methyl-3-sulfamoylbenzoate
CID 82879650
ethyl 2,5-dichloro-3-chlorosulfonylbenzoate
CID 43436811
3-methoxypropyl 2,4-dichloro-5-sulfamoylbenzoate
CID 65381030
2,5-dichloro-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide
CID 104766713
2,5-dichloro-N-(2-methylbutan-2-yl)-3-sulfamoylbenzamide
CID 65373801
pentyl 5-chloro-2-fluoro-3-sulfamoylbenzoate
CID 65382503
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2,5-dichlorobenzoate
CID 101066319
2-cyclobutylethyl 5-chloro-2-methyl-3-sulfamoylbenzoate
CID 106207164
methyl 2,5-dichloro-3-chlorosulfonylbenzoate
CID 43436756
2-(2-methoxyethoxy)ethyl 5-chloro-2-fluorobenzoate
CID 112689579
1-methoxypropan-2-yl 5-chloro-2-fluoro-3-sulfamoylbenzoate
CID 65381105

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2,5-dichloro-3-sulfamoylbenzoate?
The IUPAC name of 2-methoxyethyl 2,5-dichloro-3-sulfamoylbenzoate (CID 65380265) is 2-methoxyethyl 2,5-dichloro-3-sulfamoylbenzoate.
What is the SMILES notation for 2-methoxyethyl 2,5-dichloro-3-sulfamoylbenzoate?
The canonical SMILES for 2-methoxyethyl 2,5-dichloro-3-sulfamoylbenzoate is COCCOC(=O)c1cc(Cl)cc(S(N)(=O)=O)c1Cl.
What is the InChIKey of 2-methoxyethyl 2,5-dichloro-3-sulfamoylbenzoate?
The InChIKey is FBTOELJBJYMKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO5S/c1-17-2-3-18-10(14)7-4-6(11)5-8(9(7)12)19(13,15)16/h4-5H,2-3H2,1H3,(H2,13,15,16).
What are the key properties of 2-methoxyethyl 2,5-dichloro-3-sulfamoylbenzoate?
2-methoxyethyl 2,5-dichloro-3-sulfamoylbenzoate has a molecular weight of 328.17 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2,5-dichloro-3-sulfamoylbenzoate is sourced from PubChem (CID 65380265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).