2-chloro-5-(2-methoxyethylsulfonyl)benzoic acid

C10H11ClO5S — CID 43141002

IUPAC2-chloro-5-(2-methoxyethylsulfonyl)benzoic acid
SMILESCOCCS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C10H11ClO5S/c1-16-4-5-17(14,15)7-2-3-9(11)8(6-7)10(12)13/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKeyWCWCFBMUSPSMTG-UHFFFAOYSA-N
MW278.71 g/mol
LogP1.46
Rot. Bonds5

About 2-chloro-5-(2-methoxyethylsulfonyl)benzoic acid

2-chloro-5-(2-methoxyethylsulfonyl)benzoic acid (PubChem CID 43141002) has the molecular formula C10H11ClO5S and a molecular weight of 278.71 g/mol. Its IUPAC name is 2-chloro-5-(2-methoxyethylsulfonyl)benzoic acid.

Molecular Properties

Compound Name2-chloro-5-(2-methoxyethylsulfonyl)benzoic acid
PubChem CID43141002
Molecular FormulaC10H11ClO5S
Molecular Weight278.71 g/mol
Exact Mass278.00
IUPAC Name2-chloro-5-(2-methoxyethylsulfonyl)benzoic acid
SMILESCOCCS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C10H11ClO5S/c1-16-4-5-17(14,15)7-2-3-9(11)8(6-7)10(12)13/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKeyWCWCFBMUSPSMTG-UHFFFAOYSA-N
XLogP1.46
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-5-(2-methoxyethylsulfonyl)benzoic 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

2-chloro-5-(2-fluoroethylsulfonyl)benzoic acid
CID 80695090
2-chloro-3-fluoro-5-(2-methoxyethylsulfonyl)benzoic acid
CID 81460955
2-chloro-5-(2-methoxyethoxysulfamoyl)benzoic acid
CID 82706672
2-fluoro-5-[2-(3-methoxypropoxy)ethylsulfonyl]benzoic acid
CID 103179876
1,4-bis(2-methoxyethylsulfonyl)benzene
CID 121011835
5-[(4-bromophenyl)methylsulfonyl]-2-chlorobenzoic acid
CID 43323805
2-chloro-5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]benzoic acid
CID 106185797
2-chloro-5-[2-(cyanomethylamino)-2-oxoethyl]sulfonylbenzoic acid
CID 43141007
2-chloro-3-fluoro-5-(4-methoxybutylsulfonyl)benzoic acid
CID 104648189
2-chloro-4-pent-3-ynylsulfonylbenzoic acid
CID 107090518
2-chloro-5-[2-[ethyl(methyl)amino]-2-oxoethyl]sulfonylbenzoic acid
CID 43309828
2-chloro-5-(dimethylsulfamoyl)benzoic acid
CID 2324784

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-methoxyethylsulfonyl)benzoic acid?
The IUPAC name of 2-chloro-5-(2-methoxyethylsulfonyl)benzoic acid (CID 43141002) is 2-chloro-5-(2-methoxyethylsulfonyl)benzoic acid.
What is the SMILES notation for 2-chloro-5-(2-methoxyethylsulfonyl)benzoic acid?
The canonical SMILES for 2-chloro-5-(2-methoxyethylsulfonyl)benzoic acid is COCCS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1.
What is the InChIKey of 2-chloro-5-(2-methoxyethylsulfonyl)benzoic acid?
The InChIKey is WCWCFBMUSPSMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO5S/c1-16-4-5-17(14,15)7-2-3-9(11)8(6-7)10(12)13/h2-3,6H,4-5H2,1H3,(H,12,13).
What are the key properties of 2-chloro-5-(2-methoxyethylsulfonyl)benzoic acid?
2-chloro-5-(2-methoxyethylsulfonyl)benzoic acid has a molecular weight of 278.71 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-methoxyethylsulfonyl)benzoic acid is sourced from PubChem (CID 43141002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).