methyl 2-chloro-4-ethylsulfinylbenzoate

C10H11ClO3S — CID 118419411

IUPACmethyl 2-chloro-4-ethylsulfinylbenzoate
SMILESCCS(=O)c1ccc(C(=O)OC)c(Cl)c1
InChIInChI=1S/C10H11ClO3S/c1-3-15(13)7-4-5-8(9(11)6-7)10(12)14-2/h4-6H,3H2,1-2H3
InChIKeyOVOPASJFOIAGCB-UHFFFAOYSA-N
MW246.71 g/mol
LogP2.25
Rot. Bonds3

About methyl 2-chloro-4-ethylsulfinylbenzoate

methyl 2-chloro-4-ethylsulfinylbenzoate (PubChem CID 118419411) has the molecular formula C10H11ClO3S and a molecular weight of 246.71 g/mol. Its IUPAC name is methyl 2-chloro-4-ethylsulfinylbenzoate.

Molecular Properties

Compound Namemethyl 2-chloro-4-ethylsulfinylbenzoate
PubChem CID118419411
Molecular FormulaC10H11ClO3S
Molecular Weight246.71 g/mol
Exact Mass246.01
IUPAC Namemethyl 2-chloro-4-ethylsulfinylbenzoate
SMILESCCS(=O)c1ccc(C(=O)OC)c(Cl)c1
InChIInChI=1S/C10H11ClO3S/c1-3-15(13)7-4-5-8(9(11)6-7)10(12)14-2/h4-6H,3H2,1-2H3
InChIKeyOVOPASJFOIAGCB-UHFFFAOYSA-N
XLogP2.25
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.71
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-chloro-4-ethylsulfinylbenzoate 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

methyl 2-[(3,4-dichlorophenyl)sulfinylmethyl]benzoate
CID 82956938
methyl 4-(bromomethyl)-2-chlorobenzoate
CID 22072833
methyl 2-chloro-4-(hydrazinecarbonyl)benzoate
CID 67050317
methyl 2-chloro-4-pentylbenzoate
CID 154455158
2-chloro-1-methoxycarbonyl-4-[methyl(sulfino)amino]benzene
CID 174542427
methyl 2-chloro-4-hydrazinylbenzoate
CID 21414029
methyl 2-chloro-4-octylbenzoate
CID 135308122
methyl 2,4-dichloro-3-(N-ethoxy-C-methylcarbonimidoyl)benzoate
CID 139786259
methyl 4-chloro-2,3-diiodobenzoate
CID 131027106
dimethyl 4-amino-6-chlorobenzene-1,3-dicarboxylate
CID 10824163
methyl 5-amino-2-chlorobenzoate
CID 5200412
methyl 4-(3-aminoprop-1-enyl)-2-chlorobenzoate
CID 169464022

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-4-ethylsulfinylbenzoate?
The IUPAC name of methyl 2-chloro-4-ethylsulfinylbenzoate (CID 118419411) is methyl 2-chloro-4-ethylsulfinylbenzoate.
What is the SMILES notation for methyl 2-chloro-4-ethylsulfinylbenzoate?
The canonical SMILES for methyl 2-chloro-4-ethylsulfinylbenzoate is CCS(=O)c1ccc(C(=O)OC)c(Cl)c1.
What is the InChIKey of methyl 2-chloro-4-ethylsulfinylbenzoate?
The InChIKey is OVOPASJFOIAGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3S/c1-3-15(13)7-4-5-8(9(11)6-7)10(12)14-2/h4-6H,3H2,1-2H3.
What are the key properties of methyl 2-chloro-4-ethylsulfinylbenzoate?
methyl 2-chloro-4-ethylsulfinylbenzoate has a molecular weight of 246.71 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-4-ethylsulfinylbenzoate is sourced from PubChem (CID 118419411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).