cyclobutyl 4-sulfamoyl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxylate

C11H13F3N2O4S — CID 114612758

IUPACcyclobutyl 4-sulfamoyl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxylate
SMILESNS(=O)(=O)c1cc(C(=O)OC2CCC2)n(CC(F)(F)F)c1
InChIInChI=1S/C11H13F3N2O4S/c12-11(13,14)6-16-5-8(21(15,18)19)4-9(16)10(17)20-7-2-1-3-7/h4-5,7H,1-3,6H2,(H2,15,18,19)
InChIKeyFWUOFOHYHRYIFK-UHFFFAOYSA-N
MW326.30 g/mol
LogP1.41
Rot. Bonds4

About cyclobutyl 4-sulfamoyl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxylate

cyclobutyl 4-sulfamoyl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxylate (PubChem CID 114612758) has the molecular formula C11H13F3N2O4S and a molecular weight of 326.30 g/mol. Its IUPAC name is cyclobutyl 4-sulfamoyl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxylate.

Molecular Properties

Compound Namecyclobutyl 4-sulfamoyl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxylate
PubChem CID114612758
Molecular FormulaC11H13F3N2O4S
Molecular Weight326.30 g/mol
Exact Mass326.05
IUPAC Namecyclobutyl 4-sulfamoyl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxylate
SMILESNS(=O)(=O)c1cc(C(=O)OC2CCC2)n(CC(F)(F)F)c1
InChIInChI=1S/C11H13F3N2O4S/c12-11(13,14)6-16-5-8(21(15,18)19)4-9(16)10(17)20-7-2-1-3-7/h4-5,7H,1-3,6H2,(H2,15,18,19)
InChIKeyFWUOFOHYHRYIFK-UHFFFAOYSA-N
XLogP1.41
TPSA91.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl 4-sulfamoyl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxylate?
The IUPAC name of cyclobutyl 4-sulfamoyl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxylate (CID 114612758) is cyclobutyl 4-sulfamoyl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxylate.
What is the SMILES notation for cyclobutyl 4-sulfamoyl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxylate?
The canonical SMILES for cyclobutyl 4-sulfamoyl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxylate is NS(=O)(=O)c1cc(C(=O)OC2CCC2)n(CC(F)(F)F)c1.
What is the InChIKey of cyclobutyl 4-sulfamoyl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxylate?
The InChIKey is FWUOFOHYHRYIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O4S/c12-11(13,14)6-16-5-8(21(15,18)19)4-9(16)10(17)20-7-2-1-3-7/h4-5,7H,1-3,6H2,(H2,15,18,19).
What are the key properties of cyclobutyl 4-sulfamoyl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxylate?
cyclobutyl 4-sulfamoyl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxylate has a molecular weight of 326.30 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl 4-sulfamoyl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxylate is sourced from PubChem (CID 114612758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).