ethyl 3-(3-chlorophenyl)sulfinylpropanoate

C11H13ClO3S — CID 62645969

IUPACethyl 3-(3-chlorophenyl)sulfinylpropanoate
SMILESCCOC(=O)CCS(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H13ClO3S/c1-2-15-11(13)6-7-16(14)10-5-3-4-9(12)8-10/h3-5,8H,2,6-7H2,1H3
InChIKeyLDOAPSCVESXCHR-UHFFFAOYSA-N
MW260.74 g/mol
LogP2.40
Rot. Bonds5

About ethyl 3-(3-chlorophenyl)sulfinylpropanoate

ethyl 3-(3-chlorophenyl)sulfinylpropanoate (PubChem CID 62645969) has the molecular formula C11H13ClO3S and a molecular weight of 260.74 g/mol. Its IUPAC name is ethyl 3-(3-chlorophenyl)sulfinylpropanoate.

Molecular Properties

Compound Nameethyl 3-(3-chlorophenyl)sulfinylpropanoate
PubChem CID62645969
Molecular FormulaC11H13ClO3S
Molecular Weight260.74 g/mol
Exact Mass260.03
IUPAC Nameethyl 3-(3-chlorophenyl)sulfinylpropanoate
SMILESCCOC(=O)CCS(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H13ClO3S/c1-2-15-11(13)6-7-16(14)10-5-3-4-9(12)8-10/h3-5,8H,2,6-7H2,1H3
InChIKeyLDOAPSCVESXCHR-UHFFFAOYSA-N
XLogP2.40
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.74
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 3-(3-chlorophenyl)sulfinylpropanoate 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

ethyl 3-naphthalen-2-ylsulfinylpropanoate
CID 61302771
4-(3-chlorophenyl)sulfinyl-1-phenylbutan-1-one
CID 64635675
propan-2-yl 2-(3-chlorophenyl)sulfinylacetate
CID 62647010
tert-butyl 3-(3-methylphenyl)sulfinylpropanoate
CID 116662502
2-(3-chlorophenyl)sulfinyl-1-(4-methylphenyl)ethanone
CID 64638145
2-(3-chloro-N-(3-ethoxy-3-oxopropyl)anilino)acetic acid
CID 23052891
ethyl 4-(3-chlorophenyl)sulfanylbutanoate
CID 117058890
ethyl 2-(3-chloro-4-fluorophenyl)sulfinylacetate
CID 115477193
ethyl 5-(3-chlorophenyl)sulfanyl-4-oxopentanoate
CID 66323393
3-(3-chlorophenyl)sulfinyl-2,2-dimethylpropanoic acid
CID 79620487
ethyl (3S)-3-amino-3-(3-chlorophenyl)propanoate
CID 7047015
ethyl 2-(3-chlorophenyl)sulfanylacetate
CID 62648053

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-chlorophenyl)sulfinylpropanoate?
The IUPAC name of ethyl 3-(3-chlorophenyl)sulfinylpropanoate (CID 62645969) is ethyl 3-(3-chlorophenyl)sulfinylpropanoate.
What is the SMILES notation for ethyl 3-(3-chlorophenyl)sulfinylpropanoate?
The canonical SMILES for ethyl 3-(3-chlorophenyl)sulfinylpropanoate is CCOC(=O)CCS(=O)c1cccc(Cl)c1.
What is the InChIKey of ethyl 3-(3-chlorophenyl)sulfinylpropanoate?
The InChIKey is LDOAPSCVESXCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO3S/c1-2-15-11(13)6-7-16(14)10-5-3-4-9(12)8-10/h3-5,8H,2,6-7H2,1H3.
What are the key properties of ethyl 3-(3-chlorophenyl)sulfinylpropanoate?
ethyl 3-(3-chlorophenyl)sulfinylpropanoate has a molecular weight of 260.74 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-chlorophenyl)sulfinylpropanoate is sourced from PubChem (CID 62645969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).