ethyl 2-chlorosulfonyl-3-methoxybenzoate

C10H11ClO5S — CID 18434753

IUPACethyl 2-chlorosulfonyl-3-methoxybenzoate
SMILESCCOC(=O)c1cccc(OC)c1S(=O)(=O)Cl
InChIInChI=1S/C10H11ClO5S/c1-3-16-10(12)7-5-4-6-8(15-2)9(7)17(11,13)14/h4-6H,3H2,1-2H3
InChIKeySMPGISGQSYRWSO-UHFFFAOYSA-N
MW278.71 g/mol
LogP1.80
Rot. Bonds4

About ethyl 2-chlorosulfonyl-3-methoxybenzoate

ethyl 2-chlorosulfonyl-3-methoxybenzoate (PubChem CID 18434753) has the molecular formula C10H11ClO5S and a molecular weight of 278.71 g/mol. Its IUPAC name is ethyl 2-chlorosulfonyl-3-methoxybenzoate.

Molecular Properties

Compound Nameethyl 2-chlorosulfonyl-3-methoxybenzoate
PubChem CID18434753
Molecular FormulaC10H11ClO5S
Molecular Weight278.71 g/mol
Exact Mass278.00
IUPAC Nameethyl 2-chlorosulfonyl-3-methoxybenzoate
SMILESCCOC(=O)c1cccc(OC)c1S(=O)(=O)Cl
InChIInChI=1S/C10H11ClO5S/c1-3-16-10(12)7-5-4-6-8(15-2)9(7)17(11,13)14/h4-6H,3H2,1-2H3
InChIKeySMPGISGQSYRWSO-UHFFFAOYSA-N
XLogP1.80
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-chlorosulfonyl-3-(difluoromethoxy)benzoate
CID 18434803
ethyl 3-chloro-2-chlorosulfonylbenzoate
CID 18434594
ethyl 3-methoxy-2-propanoylbenzoate
CID 134642585
ethyl 2-ethoxy-3-methoxybenzoate
CID 82186199
2,6-dimethoxybenzenesulfonyl chloride;ethane
CID 155744790
ethyl 2-cyano-3-methoxybenzoate
CID 91882388
ethyl 3-bromo-2-sulfamoylbenzoate
CID 18434647
1-O-ethyl 2-O-[(2-methoxyphenyl)methyl] benzene-1,2-dicarboxylate
CID 91719915
ethyl 2-(2-ethoxycarbonylphenoxy)benzoate
CID 142800670
2-butanoyl-6-methoxybenzenesulfonamide
CID 114274389
ethyl 3,8-dimethoxynaphthalene-2-carboxylate
CID 170872170
ethyl 1-hydroxy-5-methoxy-9,10-dioxoanthracene-2-carboxylate
CID 134937894

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chlorosulfonyl-3-methoxybenzoate?
The IUPAC name of ethyl 2-chlorosulfonyl-3-methoxybenzoate (CID 18434753) is ethyl 2-chlorosulfonyl-3-methoxybenzoate.
What is the SMILES notation for ethyl 2-chlorosulfonyl-3-methoxybenzoate?
The canonical SMILES for ethyl 2-chlorosulfonyl-3-methoxybenzoate is CCOC(=O)c1cccc(OC)c1S(=O)(=O)Cl.
What is the InChIKey of ethyl 2-chlorosulfonyl-3-methoxybenzoate?
The InChIKey is SMPGISGQSYRWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO5S/c1-3-16-10(12)7-5-4-6-8(15-2)9(7)17(11,13)14/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 2-chlorosulfonyl-3-methoxybenzoate?
ethyl 2-chlorosulfonyl-3-methoxybenzoate has a molecular weight of 278.71 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chlorosulfonyl-3-methoxybenzoate is sourced from PubChem (CID 18434753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).