ethyl 4-(benzenesulfonamido)-2-methyl-5-oxo-4-(trifluoromethyl)furan-3-carboxylate

C15H14F3NO6S — CID 2939577

IUPACethyl 4-(benzenesulfonamido)-2-methyl-5-oxo-4-(trifluoromethyl)furan-3-carboxylate
SMILESCCOC(=O)C1=C(C)OC(=O)C1(NS(=O)(=O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H14F3NO6S/c1-3-24-12(20)11-9(2)25-13(21)14(11,15(16,17)18)19-26(22,23)10-7-5-4-6-8-10/h4-8,19H,3H2,1-2H3
InChIKeyACVVLRWBGFCGIF-UHFFFAOYSA-N
MW393.34 g/mol
LogP1.66
Rot. Bonds5

About ethyl 4-(benzenesulfonamido)-2-methyl-5-oxo-4-(trifluoromethyl)furan-3-carboxylate

ethyl 4-(benzenesulfonamido)-2-methyl-5-oxo-4-(trifluoromethyl)furan-3-carboxylate (PubChem CID 2939577) has the molecular formula C15H14F3NO6S and a molecular weight of 393.34 g/mol. Its IUPAC name is ethyl 4-(benzenesulfonamido)-2-methyl-5-oxo-4-(trifluoromethyl)furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(benzenesulfonamido)-2-methyl-5-oxo-4-(trifluoromethyl)furan-3-carboxylate
PubChem CID2939577
Molecular FormulaC15H14F3NO6S
Molecular Weight393.34 g/mol
Exact Mass393.05
IUPAC Nameethyl 4-(benzenesulfonamido)-2-methyl-5-oxo-4-(trifluoromethyl)furan-3-carboxylate
SMILESCCOC(=O)C1=C(C)OC(=O)C1(NS(=O)(=O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H14F3NO6S/c1-3-24-12(20)11-9(2)25-13(21)14(11,15(16,17)18)19-26(22,23)10-7-5-4-6-8-10/h4-8,19H,3H2,1-2H3
InChIKeyACVVLRWBGFCGIF-UHFFFAOYSA-N
XLogP1.66
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(benzenesulfonamido)-2-methyl-5-oxo-4-(trifluoromethyl)furan-3-carboxylate?
The IUPAC name of ethyl 4-(benzenesulfonamido)-2-methyl-5-oxo-4-(trifluoromethyl)furan-3-carboxylate (CID 2939577) is ethyl 4-(benzenesulfonamido)-2-methyl-5-oxo-4-(trifluoromethyl)furan-3-carboxylate.
What is the SMILES notation for ethyl 4-(benzenesulfonamido)-2-methyl-5-oxo-4-(trifluoromethyl)furan-3-carboxylate?
The canonical SMILES for ethyl 4-(benzenesulfonamido)-2-methyl-5-oxo-4-(trifluoromethyl)furan-3-carboxylate is CCOC(=O)C1=C(C)OC(=O)C1(NS(=O)(=O)c1ccccc1)C(F)(F)F.
What is the InChIKey of ethyl 4-(benzenesulfonamido)-2-methyl-5-oxo-4-(trifluoromethyl)furan-3-carboxylate?
The InChIKey is ACVVLRWBGFCGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO6S/c1-3-24-12(20)11-9(2)25-13(21)14(11,15(16,17)18)19-26(22,23)10-7-5-4-6-8-10/h4-8,19H,3H2,1-2H3.
What are the key properties of ethyl 4-(benzenesulfonamido)-2-methyl-5-oxo-4-(trifluoromethyl)furan-3-carboxylate?
ethyl 4-(benzenesulfonamido)-2-methyl-5-oxo-4-(trifluoromethyl)furan-3-carboxylate has a molecular weight of 393.34 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(benzenesulfonamido)-2-methyl-5-oxo-4-(trifluoromethyl)furan-3-carboxylate is sourced from PubChem (CID 2939577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).