methyl 5-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]oxymethyl]furan-2-carboxylate

C15H14FNO7S — CID 7954171

IUPACmethyl 5-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)CNS(=O)(=O)c2ccc(F)cc2)o1
InChIInChI=1S/C15H14FNO7S/c1-22-15(19)13-7-4-11(24-13)9-23-14(18)8-17-25(20,21)12-5-2-10(16)3-6-12/h2-7,17H,8-9H2,1H3
InChIKeyPMERFQAUKROCNI-UHFFFAOYSA-N
MW371.34 g/mol
LogP1.23
Rot. Bonds7

About methyl 5-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]oxymethyl]furan-2-carboxylate

methyl 5-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]oxymethyl]furan-2-carboxylate (PubChem CID 7954171) has the molecular formula C15H14FNO7S and a molecular weight of 371.34 g/mol. Its IUPAC name is methyl 5-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]oxymethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]oxymethyl]furan-2-carboxylate
PubChem CID7954171
Molecular FormulaC15H14FNO7S
Molecular Weight371.34 g/mol
Exact Mass371.05
IUPAC Namemethyl 5-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)CNS(=O)(=O)c2ccc(F)cc2)o1
InChIInChI=1S/C15H14FNO7S/c1-22-15(19)13-7-4-11(24-13)9-23-14(18)8-17-25(20,21)12-5-2-10(16)3-6-12/h2-7,17H,8-9H2,1H3
InChIKeyPMERFQAUKROCNI-UHFFFAOYSA-N
XLogP1.23
TPSA111.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]oxymethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]oxymethyl]furan-2-carboxylate (CID 7954171) is methyl 5-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]oxymethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]oxymethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]oxymethyl]furan-2-carboxylate is COC(=O)c1ccc(COC(=O)CNS(=O)(=O)c2ccc(F)cc2)o1.
What is the InChIKey of methyl 5-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]oxymethyl]furan-2-carboxylate?
The InChIKey is PMERFQAUKROCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO7S/c1-22-15(19)13-7-4-11(24-13)9-23-14(18)8-17-25(20,21)12-5-2-10(16)3-6-12/h2-7,17H,8-9H2,1H3.
What are the key properties of methyl 5-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]oxymethyl]furan-2-carboxylate?
methyl 5-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]oxymethyl]furan-2-carboxylate has a molecular weight of 371.34 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]oxymethyl]furan-2-carboxylate is sourced from PubChem (CID 7954171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).