5-sulfamoyl-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran-3-carboxamide

C11H11F3N2O4S — CID 65374101

IUPAC5-sulfamoyl-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESNS(=O)(=O)c1ccc2c(c1)C(C(=O)NCC(F)(F)F)CO2
InChIInChI=1S/C11H11F3N2O4S/c12-11(13,14)5-16-10(17)8-4-20-9-2-1-6(3-7(8)9)21(15,18)19/h1-3,8H,4-5H2,(H,16,17)(H2,15,18,19)
InChIKeySZPRBEPOJZJGOZ-UHFFFAOYSA-N
MW324.28 g/mol
LogP0.49
Rot. Bonds3

About 5-sulfamoyl-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran-3-carboxamide

5-sulfamoyl-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 65374101) has the molecular formula C11H11F3N2O4S and a molecular weight of 324.28 g/mol. Its IUPAC name is 5-sulfamoyl-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-sulfamoyl-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID65374101
Molecular FormulaC11H11F3N2O4S
Molecular Weight324.28 g/mol
Exact Mass324.04
IUPAC Name5-sulfamoyl-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESNS(=O)(=O)c1ccc2c(c1)C(C(=O)NCC(F)(F)F)CO2
InChIInChI=1S/C11H11F3N2O4S/c12-11(13,14)5-16-10(17)8-4-20-9-2-1-6(3-7(8)9)21(15,18)19/h1-3,8H,4-5H2,(H,16,17)(H2,15,18,19)
InChIKeySZPRBEPOJZJGOZ-UHFFFAOYSA-N
XLogP0.49
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.28
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-sulfamoyl-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of 5-sulfamoyl-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran-3-carboxamide (CID 65374101) is 5-sulfamoyl-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-sulfamoyl-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-sulfamoyl-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran-3-carboxamide is NS(=O)(=O)c1ccc2c(c1)C(C(=O)NCC(F)(F)F)CO2.
What is the InChIKey of 5-sulfamoyl-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is SZPRBEPOJZJGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O4S/c12-11(13,14)5-16-10(17)8-4-20-9-2-1-6(3-7(8)9)21(15,18)19/h1-3,8H,4-5H2,(H,16,17)(H2,15,18,19).
What are the key properties of 5-sulfamoyl-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran-3-carboxamide?
5-sulfamoyl-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 324.28 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-sulfamoyl-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 65374101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).