ethyl 3-fluorosulfonyl-4-methoxybenzoate

C10H11FO5S — CID 91735295

IUPACethyl 3-fluorosulfonyl-4-methoxybenzoate
SMILESCCOC(=O)c1ccc(OC)c(S(=O)(=O)F)c1
InChIInChI=1S/C10H11FO5S/c1-3-16-10(12)7-4-5-8(15-2)9(6-7)17(11,13)14/h4-6H,3H2,1-2H3
InChIKeyBNYMXFIZDBZREK-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.53
Rot. Bonds4

About ethyl 3-fluorosulfonyl-4-methoxybenzoate

ethyl 3-fluorosulfonyl-4-methoxybenzoate (PubChem CID 91735295) has the molecular formula C10H11FO5S and a molecular weight of 262.26 g/mol. Its IUPAC name is ethyl 3-fluorosulfonyl-4-methoxybenzoate.

Molecular Properties

Compound Nameethyl 3-fluorosulfonyl-4-methoxybenzoate
PubChem CID91735295
Molecular FormulaC10H11FO5S
Molecular Weight262.26 g/mol
Exact Mass262.03
IUPAC Nameethyl 3-fluorosulfonyl-4-methoxybenzoate
SMILESCCOC(=O)c1ccc(OC)c(S(=O)(=O)F)c1
InChIInChI=1S/C10H11FO5S/c1-3-16-10(12)7-4-5-8(15-2)9(6-7)17(11,13)14/h4-6H,3H2,1-2H3
InChIKeyBNYMXFIZDBZREK-UHFFFAOYSA-N
XLogP1.53
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 3-fluorosulfonyl-4-methoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-fluorosulfonyl-4-methoxybenzoate?
The IUPAC name of ethyl 3-fluorosulfonyl-4-methoxybenzoate (CID 91735295) is ethyl 3-fluorosulfonyl-4-methoxybenzoate.
What is the SMILES notation for ethyl 3-fluorosulfonyl-4-methoxybenzoate?
The canonical SMILES for ethyl 3-fluorosulfonyl-4-methoxybenzoate is CCOC(=O)c1ccc(OC)c(S(=O)(=O)F)c1.
What is the InChIKey of ethyl 3-fluorosulfonyl-4-methoxybenzoate?
The InChIKey is BNYMXFIZDBZREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO5S/c1-3-16-10(12)7-4-5-8(15-2)9(6-7)17(11,13)14/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 3-fluorosulfonyl-4-methoxybenzoate?
ethyl 3-fluorosulfonyl-4-methoxybenzoate has a molecular weight of 262.26 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-fluorosulfonyl-4-methoxybenzoate is sourced from PubChem (CID 91735295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).