methyl 2-(4-fluorophenyl)sulfonyloxybenzoate

C14H11FO5S — CID 10018246

IUPACmethyl 2-(4-fluorophenyl)sulfonyloxybenzoate
SMILESCOC(=O)c1ccccc1OS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H11FO5S/c1-19-14(16)12-4-2-3-5-13(12)20-21(17,18)11-8-6-10(15)7-9-11/h2-9H,1H3
InChIKeyYGKFTQCCLUHNFA-UHFFFAOYSA-N
MW310.30 g/mol
LogP2.38
Rot. Bonds4

About methyl 2-(4-fluorophenyl)sulfonyloxybenzoate

methyl 2-(4-fluorophenyl)sulfonyloxybenzoate (PubChem CID 10018246) has the molecular formula C14H11FO5S and a molecular weight of 310.30 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)sulfonyloxybenzoate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)sulfonyloxybenzoate
PubChem CID10018246
Molecular FormulaC14H11FO5S
Molecular Weight310.30 g/mol
Exact Mass310.03
IUPAC Namemethyl 2-(4-fluorophenyl)sulfonyloxybenzoate
SMILESCOC(=O)c1ccccc1OS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H11FO5S/c1-19-14(16)12-4-2-3-5-13(12)20-21(17,18)11-8-6-10(15)7-9-11/h2-9H,1H3
InChIKeyYGKFTQCCLUHNFA-UHFFFAOYSA-N
XLogP2.38
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenyl)sulfonyloxybenzoate?
The IUPAC name of methyl 2-(4-fluorophenyl)sulfonyloxybenzoate (CID 10018246) is methyl 2-(4-fluorophenyl)sulfonyloxybenzoate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)sulfonyloxybenzoate?
The canonical SMILES for methyl 2-(4-fluorophenyl)sulfonyloxybenzoate is COC(=O)c1ccccc1OS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of methyl 2-(4-fluorophenyl)sulfonyloxybenzoate?
The InChIKey is YGKFTQCCLUHNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO5S/c1-19-14(16)12-4-2-3-5-13(12)20-21(17,18)11-8-6-10(15)7-9-11/h2-9H,1H3.
What are the key properties of methyl 2-(4-fluorophenyl)sulfonyloxybenzoate?
methyl 2-(4-fluorophenyl)sulfonyloxybenzoate has a molecular weight of 310.30 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluorophenyl)sulfonyloxybenzoate is sourced from PubChem (CID 10018246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).