[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate

C21H17FO7S — CID 30908299

IUPAC[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
SMILESCOc1ccc(F)cc1C(=O)COC(=O)c1occc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C21H17FO7S/c1-27-19-8-7-15(22)11-17(19)18(23)12-29-21(24)20-14(9-10-28-20)13-30(25,26)16-5-3-2-4-6-16/h2-11H,12-13H2,1H3
InChIKeyNSWZGJWFLBPTRW-UHFFFAOYSA-N
MW432.43 g/mol
LogP3.44
Rot. Bonds8

About [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate

[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate (PubChem CID 30908299) has the molecular formula C21H17FO7S and a molecular weight of 432.43 g/mol. Its IUPAC name is [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate.

Molecular Properties

Compound Name[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
PubChem CID30908299
Molecular FormulaC21H17FO7S
Molecular Weight432.43 g/mol
Exact Mass432.07
IUPAC Name[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
SMILESCOc1ccc(F)cc1C(=O)COC(=O)c1occc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C21H17FO7S/c1-27-19-8-7-15(22)11-17(19)18(23)12-29-21(24)20-14(9-10-28-20)13-30(25,26)16-5-3-2-4-6-16/h2-11H,12-13H2,1H3
InChIKeyNSWZGJWFLBPTRW-UHFFFAOYSA-N
XLogP3.44
TPSA99.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.43
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 40565888
[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 46426168
[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 55466227
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 55467064
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 55466131
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8597308
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 55467166
3-(benzenesulfonylmethyl)-N-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 33114149
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3,3-diphenylpropanoate
CID 16611351
3-(benzenesulfonylmethyl)-N-(4-fluorophenyl)furan-2-carboxamide
CID 34978340
4-[[[3-(benzenesulfonylmethyl)furan-2-carbonyl]amino]methyl]-2-methoxybenzoic acid
CID 75431889
3-(benzenesulfonylmethyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]furan-2-carboxamide
CID 56552534

Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate?
The IUPAC name of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate (CID 30908299) is [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate.
What is the SMILES notation for [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate?
The canonical SMILES for [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate is COc1ccc(F)cc1C(=O)COC(=O)c1occc1CS(=O)(=O)c1ccccc1.
What is the InChIKey of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate?
The InChIKey is NSWZGJWFLBPTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FO7S/c1-27-19-8-7-15(22)11-17(19)18(23)12-29-21(24)20-14(9-10-28-20)13-30(25,26)16-5-3-2-4-6-16/h2-11H,12-13H2,1H3.
What are the key properties of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate?
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate has a molecular weight of 432.43 g/mol, XLogP of 3.44, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate is sourced from PubChem (CID 30908299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).