methyl 2-[[(4-fluorophenyl)methyl-(2-fluorophenyl)sulfonylamino]methyl]furan-3-carboxylate

C20H17F2NO5S — CID 25492820

IUPACmethyl 2-[[(4-fluorophenyl)methyl-(2-fluorophenyl)sulfonylamino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C20H17F2NO5S/c1-27-20(24)16-10-11-28-18(16)13-23(12-14-6-8-15(21)9-7-14)29(25,26)19-5-3-2-4-17(19)22/h2-11H,12-13H2,1H3
InChIKeyYLRHMOUCLSQVGV-UHFFFAOYSA-N
MW421.42 g/mol
LogP3.74
Rot. Bonds7

About methyl 2-[[(4-fluorophenyl)methyl-(2-fluorophenyl)sulfonylamino]methyl]furan-3-carboxylate

methyl 2-[[(4-fluorophenyl)methyl-(2-fluorophenyl)sulfonylamino]methyl]furan-3-carboxylate (PubChem CID 25492820) has the molecular formula C20H17F2NO5S and a molecular weight of 421.42 g/mol. Its IUPAC name is methyl 2-[[(4-fluorophenyl)methyl-(2-fluorophenyl)sulfonylamino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[(4-fluorophenyl)methyl-(2-fluorophenyl)sulfonylamino]methyl]furan-3-carboxylate
PubChem CID25492820
Molecular FormulaC20H17F2NO5S
Molecular Weight421.42 g/mol
Exact Mass421.08
IUPAC Namemethyl 2-[[(4-fluorophenyl)methyl-(2-fluorophenyl)sulfonylamino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C20H17F2NO5S/c1-27-20(24)16-10-11-28-18(16)13-23(12-14-6-8-15(21)9-7-14)29(25,26)19-5-3-2-4-17(19)22/h2-11H,12-13H2,1H3
InChIKeyYLRHMOUCLSQVGV-UHFFFAOYSA-N
XLogP3.74
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.42
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(4-fluorophenyl)methyl-(2-fluorophenyl)sulfonylamino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-[[(4-fluorophenyl)methyl-(2-fluorophenyl)sulfonylamino]methyl]furan-3-carboxylate (CID 25492820) is methyl 2-[[(4-fluorophenyl)methyl-(2-fluorophenyl)sulfonylamino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-[[(4-fluorophenyl)methyl-(2-fluorophenyl)sulfonylamino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-[[(4-fluorophenyl)methyl-(2-fluorophenyl)sulfonylamino]methyl]furan-3-carboxylate is COC(=O)c1ccoc1CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1F.
What is the InChIKey of methyl 2-[[(4-fluorophenyl)methyl-(2-fluorophenyl)sulfonylamino]methyl]furan-3-carboxylate?
The InChIKey is YLRHMOUCLSQVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO5S/c1-27-20(24)16-10-11-28-18(16)13-23(12-14-6-8-15(21)9-7-14)29(25,26)19-5-3-2-4-17(19)22/h2-11H,12-13H2,1H3.
What are the key properties of methyl 2-[[(4-fluorophenyl)methyl-(2-fluorophenyl)sulfonylamino]methyl]furan-3-carboxylate?
methyl 2-[[(4-fluorophenyl)methyl-(2-fluorophenyl)sulfonylamino]methyl]furan-3-carboxylate has a molecular weight of 421.42 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(4-fluorophenyl)methyl-(2-fluorophenyl)sulfonylamino]methyl]furan-3-carboxylate is sourced from PubChem (CID 25492820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).