methyl 5-chloro-2-chlorosulfinyl-3-methoxybenzoate

C9H8Cl2O4S — CID 167519221

IUPACmethyl 5-chloro-2-chlorosulfinyl-3-methoxybenzoate
SMILESCOC(=O)c1cc(Cl)cc(OC)c1S(=O)Cl
InChIInChI=1S/C9H8Cl2O4S/c1-14-7-4-5(10)3-6(9(12)15-2)8(7)16(11)13/h3-4H,1-2H3
InChIKeyUIQIRWYDWQNAMA-UHFFFAOYSA-N
MW283.13 g/mol
LogP2.40
Rot. Bonds3

About methyl 5-chloro-2-chlorosulfinyl-3-methoxybenzoate

methyl 5-chloro-2-chlorosulfinyl-3-methoxybenzoate (PubChem CID 167519221) has the molecular formula C9H8Cl2O4S and a molecular weight of 283.13 g/mol. Its IUPAC name is methyl 5-chloro-2-chlorosulfinyl-3-methoxybenzoate.

Molecular Properties

Compound Namemethyl 5-chloro-2-chlorosulfinyl-3-methoxybenzoate
PubChem CID167519221
Molecular FormulaC9H8Cl2O4S
Molecular Weight283.13 g/mol
Exact Mass281.95
IUPAC Namemethyl 5-chloro-2-chlorosulfinyl-3-methoxybenzoate
SMILESCOC(=O)c1cc(Cl)cc(OC)c1S(=O)Cl
InChIInChI=1S/C9H8Cl2O4S/c1-14-7-4-5(10)3-6(9(12)15-2)8(7)16(11)13/h3-4H,1-2H3
InChIKeyUIQIRWYDWQNAMA-UHFFFAOYSA-N
XLogP2.40
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-acetyl-5-chloro-3-methoxybenzoate
CID 169313792
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methyl 5-chloro-3-methoxy-2-prop-2-ynoxybenzoate
CID 19693335
5-chloro-2-fluoro-3-methoxycarbonylbenzenesulfinic acid
CID 165455512
4-chloro-2-methoxycarbonyl-1-(sulfinoamino)benzene
CID 71212919
methyl 3-bromo-2,5-dichlorobenzoate
CID 57362641
methyl 2-amino-5-chloro-3-(trifluoromethoxy)benzoate
CID 134645546
methyl 3-bromo-5-chloro-2-(chloromethyl)benzoate
CID 171024307
1-(5-chloro-2-fluoro-3-methoxyphenyl)ethanone
CID 84671092
methyl 3-bromo-5-chloro-2-hydroxybenzoate
CID 53419622
4-chloro-2,6-dimethoxybenzoyl chloride
CID 21317234
dimethyl 6,7-dimethoxynaphthalene-2,3-dicarboxylate
CID 10494700

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-chlorosulfinyl-3-methoxybenzoate?
The IUPAC name of methyl 5-chloro-2-chlorosulfinyl-3-methoxybenzoate (CID 167519221) is methyl 5-chloro-2-chlorosulfinyl-3-methoxybenzoate.
What is the SMILES notation for methyl 5-chloro-2-chlorosulfinyl-3-methoxybenzoate?
The canonical SMILES for methyl 5-chloro-2-chlorosulfinyl-3-methoxybenzoate is COC(=O)c1cc(Cl)cc(OC)c1S(=O)Cl.
What is the InChIKey of methyl 5-chloro-2-chlorosulfinyl-3-methoxybenzoate?
The InChIKey is UIQIRWYDWQNAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O4S/c1-14-7-4-5(10)3-6(9(12)15-2)8(7)16(11)13/h3-4H,1-2H3.
What are the key properties of methyl 5-chloro-2-chlorosulfinyl-3-methoxybenzoate?
methyl 5-chloro-2-chlorosulfinyl-3-methoxybenzoate has a molecular weight of 283.13 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-chlorosulfinyl-3-methoxybenzoate is sourced from PubChem (CID 167519221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).