ethyl 4-[[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-yl]sulfonylamino]benzoate

C17H13F3N2O6S — CID 50788763

IUPACethyl 4-[[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-yl]sulfonylamino]benzoate
SMILESCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)o2)cc1
InChIInChI=1S/C17H13F3N2O6S/c1-2-26-16(23)10-3-5-11(6-4-10)22-29(24,25)15-8-7-13(27-15)12-9-14(28-21-12)17(18,19)20/h3-9,22H,2H2,1H3
InChIKeyHSNRAYPFVNOWBH-UHFFFAOYSA-N
MW430.36 g/mol
LogP3.93
Rot. Bonds6

About ethyl 4-[[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-yl]sulfonylamino]benzoate

ethyl 4-[[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-yl]sulfonylamino]benzoate (PubChem CID 50788763) has the molecular formula C17H13F3N2O6S and a molecular weight of 430.36 g/mol. Its IUPAC name is ethyl 4-[[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-yl]sulfonylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-yl]sulfonylamino]benzoate
PubChem CID50788763
Molecular FormulaC17H13F3N2O6S
Molecular Weight430.36 g/mol
Exact Mass430.04
IUPAC Nameethyl 4-[[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-yl]sulfonylamino]benzoate
SMILESCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)o2)cc1
InChIInChI=1S/C17H13F3N2O6S/c1-2-26-16(23)10-3-5-11(6-4-10)22-29(24,25)15-8-7-13(27-15)12-9-14(28-21-12)17(18,19)20/h3-9,22H,2H2,1H3
InChIKeyHSNRAYPFVNOWBH-UHFFFAOYSA-N
XLogP3.93
TPSA111.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.36
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-yl]sulfonylamino]benzoate with MolForge

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Related Compounds

N-(2,5-dimethylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-sulfonamide
CID 53078555
N-(4-acetylphenyl)-2-ethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide
CID 46396262
ethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzoate
CID 7400931
ethyl 4-[[2-methyl-5-(1,2-oxazol-5-yl)furan-3-yl]sulfonylamino]benzoate
CID 46292533
ethyl 4-[(4-iodophenyl)sulfamoyl]benzoate
CID 26967680
ethyl 4-[(4-fluorophenyl)sulfonylamino]benzoate
CID 796321
ethyl 4-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzoate
CID 169371543
ethyl 4-[[4-(3-ethyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate
CID 50835221
ethyl 4-[(2,3-diaminophenyl)sulfonylamino]benzoate
CID 90419987
ethyl 3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoate
CID 5088845
ethyl 4-[(3-tert-butyl-1,2-oxazol-5-yl)sulfamoyl]benzoate
CID 2121635
ethyl 4-(1,2-benzoxazol-3-ylmethylsulfonylamino)benzoate
CID 90624454

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-yl]sulfonylamino]benzoate?
The IUPAC name of ethyl 4-[[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-yl]sulfonylamino]benzoate (CID 50788763) is ethyl 4-[[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-yl]sulfonylamino]benzoate.
What is the SMILES notation for ethyl 4-[[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-yl]sulfonylamino]benzoate?
The canonical SMILES for ethyl 4-[[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-yl]sulfonylamino]benzoate is CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)o2)cc1.
What is the InChIKey of ethyl 4-[[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-yl]sulfonylamino]benzoate?
The InChIKey is HSNRAYPFVNOWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O6S/c1-2-26-16(23)10-3-5-11(6-4-10)22-29(24,25)15-8-7-13(27-15)12-9-14(28-21-12)17(18,19)20/h3-9,22H,2H2,1H3.
What are the key properties of ethyl 4-[[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-yl]sulfonylamino]benzoate?
ethyl 4-[[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-yl]sulfonylamino]benzoate has a molecular weight of 430.36 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-yl]sulfonylamino]benzoate is sourced from PubChem (CID 50788763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).