(2-fluorophenyl) 2-phenoxysulfonylacetate

C14H11FO5S — CID 90222426

IUPAC(2-fluorophenyl) 2-phenoxysulfonylacetate
SMILESO=C(CS(=O)(=O)Oc1ccccc1)Oc1ccccc1F
InChIInChI=1S/C14H11FO5S/c15-12-8-4-5-9-13(12)19-14(16)10-21(17,18)20-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyBTNMPIWLNAUROK-UHFFFAOYSA-N
MW310.30 g/mol
LogP2.14
Rot. Bonds5

About (2-fluorophenyl) 2-phenoxysulfonylacetate

(2-fluorophenyl) 2-phenoxysulfonylacetate (PubChem CID 90222426) has the molecular formula C14H11FO5S and a molecular weight of 310.30 g/mol. Its IUPAC name is (2-fluorophenyl) 2-phenoxysulfonylacetate.

Molecular Properties

Compound Name(2-fluorophenyl) 2-phenoxysulfonylacetate
PubChem CID90222426
Molecular FormulaC14H11FO5S
Molecular Weight310.30 g/mol
Exact Mass310.03
IUPAC Name(2-fluorophenyl) 2-phenoxysulfonylacetate
SMILESO=C(CS(=O)(=O)Oc1ccccc1)Oc1ccccc1F
InChIInChI=1S/C14H11FO5S/c15-12-8-4-5-9-13(12)19-14(16)10-21(17,18)20-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyBTNMPIWLNAUROK-UHFFFAOYSA-N
XLogP2.14
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(2-fluorophenyl) hexanedioate
CID 91704928
(2-fluorophenyl) 3-sulfanylpropanoate
CID 86052202
bis(2-fluorophenyl) methanedisulfonate
CID 90195170
diphenyl ethane-1,2-disulfonate
CID 4219954
2-oxo-2-phenoxyethanesulfonic acid
CID 23329753
(2-fluorophenyl) 2-(3-aminophenoxy)acetate
CID 100615878
4-O-(2-fluorophenyl) 1-O-[(3-phenoxyphenyl)methyl] butanedioate
CID 91728169
(2-fluorophenyl) 2-(2-nitrophenoxy)acetate
CID 7900804
4-O-(2,3-dimethylphenyl) 1-O-(2-fluorophenyl) butanedioate
CID 91733507
(2-fluorophenyl) 2-(1,3-dioxoisoindol-2-yl)acetate
CID 8764408
1-O-(2-fluorophenyl) 5-O-naphthalen-1-yl pentanedioate
CID 91718911
(2-fluorophenyl) N-chlorosulfonylcarbamate
CID 88948321

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl) 2-phenoxysulfonylacetate?
The IUPAC name of (2-fluorophenyl) 2-phenoxysulfonylacetate (CID 90222426) is (2-fluorophenyl) 2-phenoxysulfonylacetate.
What is the SMILES notation for (2-fluorophenyl) 2-phenoxysulfonylacetate?
The canonical SMILES for (2-fluorophenyl) 2-phenoxysulfonylacetate is O=C(CS(=O)(=O)Oc1ccccc1)Oc1ccccc1F.
What is the InChIKey of (2-fluorophenyl) 2-phenoxysulfonylacetate?
The InChIKey is BTNMPIWLNAUROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO5S/c15-12-8-4-5-9-13(12)19-14(16)10-21(17,18)20-11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of (2-fluorophenyl) 2-phenoxysulfonylacetate?
(2-fluorophenyl) 2-phenoxysulfonylacetate has a molecular weight of 310.30 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl) 2-phenoxysulfonylacetate is sourced from PubChem (CID 90222426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).