oxetan-2-yl 2-sulfamoyl-3-(trifluoromethoxy)benzoate

C11H10F3NO6S — CID 18434813

IUPACoxetan-2-yl 2-sulfamoyl-3-(trifluoromethoxy)benzoate
SMILESNS(=O)(=O)c1c(OC(F)(F)F)cccc1C(=O)OC1CCO1
InChIInChI=1S/C11H10F3NO6S/c12-11(13,14)21-7-3-1-2-6(9(7)22(15,17)18)10(16)20-8-4-5-19-8/h1-3,8H,4-5H2,(H2,15,17,18)
InChIKeyUXLNPORDAUDHLH-UHFFFAOYSA-N
MW341.26 g/mol
LogP1.14
Rot. Bonds4

About oxetan-2-yl 2-sulfamoyl-3-(trifluoromethoxy)benzoate

oxetan-2-yl 2-sulfamoyl-3-(trifluoromethoxy)benzoate (PubChem CID 18434813) has the molecular formula C11H10F3NO6S and a molecular weight of 341.26 g/mol. Its IUPAC name is oxetan-2-yl 2-sulfamoyl-3-(trifluoromethoxy)benzoate.

Molecular Properties

Compound Nameoxetan-2-yl 2-sulfamoyl-3-(trifluoromethoxy)benzoate
PubChem CID18434813
Molecular FormulaC11H10F3NO6S
Molecular Weight341.26 g/mol
Exact Mass341.02
IUPAC Nameoxetan-2-yl 2-sulfamoyl-3-(trifluoromethoxy)benzoate
SMILESNS(=O)(=O)c1c(OC(F)(F)F)cccc1C(=O)OC1CCO1
InChIInChI=1S/C11H10F3NO6S/c12-11(13,14)21-7-3-1-2-6(9(7)22(15,17)18)10(16)20-8-4-5-19-8/h1-3,8H,4-5H2,(H2,15,17,18)
InChIKeyUXLNPORDAUDHLH-UHFFFAOYSA-N
XLogP1.14
TPSA104.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.26
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of oxetan-2-yl 2-sulfamoyl-3-(trifluoromethoxy)benzoate?
The IUPAC name of oxetan-2-yl 2-sulfamoyl-3-(trifluoromethoxy)benzoate (CID 18434813) is oxetan-2-yl 2-sulfamoyl-3-(trifluoromethoxy)benzoate.
What is the SMILES notation for oxetan-2-yl 2-sulfamoyl-3-(trifluoromethoxy)benzoate?
The canonical SMILES for oxetan-2-yl 2-sulfamoyl-3-(trifluoromethoxy)benzoate is NS(=O)(=O)c1c(OC(F)(F)F)cccc1C(=O)OC1CCO1.
What is the InChIKey of oxetan-2-yl 2-sulfamoyl-3-(trifluoromethoxy)benzoate?
The InChIKey is UXLNPORDAUDHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO6S/c12-11(13,14)21-7-3-1-2-6(9(7)22(15,17)18)10(16)20-8-4-5-19-8/h1-3,8H,4-5H2,(H2,15,17,18).
What are the key properties of oxetan-2-yl 2-sulfamoyl-3-(trifluoromethoxy)benzoate?
oxetan-2-yl 2-sulfamoyl-3-(trifluoromethoxy)benzoate has a molecular weight of 341.26 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-2-yl 2-sulfamoyl-3-(trifluoromethoxy)benzoate is sourced from PubChem (CID 18434813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).