5-(tert-butylsulfamoyl)-N-(2,2,2-trifluoroethyl)furan-2-carboxamide

C11H15F3N2O4S — CID 38835018

IUPAC5-(tert-butylsulfamoyl)-N-(2,2,2-trifluoroethyl)furan-2-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)o1
InChIInChI=1S/C11H15F3N2O4S/c1-10(2,3)16-21(18,19)8-5-4-7(20-8)9(17)15-6-11(12,13)14/h4-5,16H,6H2,1-3H3,(H,15,17)
InChIKeySNKNKFXGCWWKAV-UHFFFAOYSA-N
MW328.31 g/mol
LogP1.65
Rot. Bonds4

About 5-(tert-butylsulfamoyl)-N-(2,2,2-trifluoroethyl)furan-2-carboxamide

5-(tert-butylsulfamoyl)-N-(2,2,2-trifluoroethyl)furan-2-carboxamide (PubChem CID 38835018) has the molecular formula C11H15F3N2O4S and a molecular weight of 328.31 g/mol. Its IUPAC name is 5-(tert-butylsulfamoyl)-N-(2,2,2-trifluoroethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(tert-butylsulfamoyl)-N-(2,2,2-trifluoroethyl)furan-2-carboxamide
PubChem CID38835018
Molecular FormulaC11H15F3N2O4S
Molecular Weight328.31 g/mol
Exact Mass328.07
IUPAC Name5-(tert-butylsulfamoyl)-N-(2,2,2-trifluoroethyl)furan-2-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)o1
InChIInChI=1S/C11H15F3N2O4S/c1-10(2,3)16-21(18,19)8-5-4-7(20-8)9(17)15-6-11(12,13)14/h4-5,16H,6H2,1-3H3,(H,15,17)
InChIKeySNKNKFXGCWWKAV-UHFFFAOYSA-N
XLogP1.65
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.31
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfamoyl)-N-(2,2,2-trifluoroethyl)furan-2-carboxamide?
The IUPAC name of 5-(tert-butylsulfamoyl)-N-(2,2,2-trifluoroethyl)furan-2-carboxamide (CID 38835018) is 5-(tert-butylsulfamoyl)-N-(2,2,2-trifluoroethyl)furan-2-carboxamide.
What is the SMILES notation for 5-(tert-butylsulfamoyl)-N-(2,2,2-trifluoroethyl)furan-2-carboxamide?
The canonical SMILES for 5-(tert-butylsulfamoyl)-N-(2,2,2-trifluoroethyl)furan-2-carboxamide is CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)o1.
What is the InChIKey of 5-(tert-butylsulfamoyl)-N-(2,2,2-trifluoroethyl)furan-2-carboxamide?
The InChIKey is SNKNKFXGCWWKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O4S/c1-10(2,3)16-21(18,19)8-5-4-7(20-8)9(17)15-6-11(12,13)14/h4-5,16H,6H2,1-3H3,(H,15,17).
What are the key properties of 5-(tert-butylsulfamoyl)-N-(2,2,2-trifluoroethyl)furan-2-carboxamide?
5-(tert-butylsulfamoyl)-N-(2,2,2-trifluoroethyl)furan-2-carboxamide has a molecular weight of 328.31 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfamoyl)-N-(2,2,2-trifluoroethyl)furan-2-carboxamide is sourced from PubChem (CID 38835018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).