5-sulfamoyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide

C8H9F3N2O3S2 — CID 141117882

IUPAC5-sulfamoyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide
SMILESNS(=O)(=O)c1ccc(C(=O)NCCC(F)(F)F)s1
InChIInChI=1S/C8H9F3N2O3S2/c9-8(10,11)3-4-13-7(14)5-1-2-6(17-5)18(12,15)16/h1-2H,3-4H2,(H,13,14)(H2,12,15,16)
InChIKeyIORMIUMCHNACNV-UHFFFAOYSA-N
MW302.30 g/mol
LogP1.08
Rot. Bonds4

About 5-sulfamoyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide

5-sulfamoyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide (PubChem CID 141117882) has the molecular formula C8H9F3N2O3S2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 5-sulfamoyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-sulfamoyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide
PubChem CID141117882
Molecular FormulaC8H9F3N2O3S2
Molecular Weight302.30 g/mol
Exact Mass302.00
IUPAC Name5-sulfamoyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide
SMILESNS(=O)(=O)c1ccc(C(=O)NCCC(F)(F)F)s1
InChIInChI=1S/C8H9F3N2O3S2/c9-8(10,11)3-4-13-7(14)5-1-2-6(17-5)18(12,15)16/h1-2H,3-4H2,(H,13,14)(H2,12,15,16)
InChIKeyIORMIUMCHNACNV-UHFFFAOYSA-N
XLogP1.08
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-sulfamoyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide?
The IUPAC name of 5-sulfamoyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide (CID 141117882) is 5-sulfamoyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-sulfamoyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide?
The canonical SMILES for 5-sulfamoyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide is NS(=O)(=O)c1ccc(C(=O)NCCC(F)(F)F)s1.
What is the InChIKey of 5-sulfamoyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide?
The InChIKey is IORMIUMCHNACNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O3S2/c9-8(10,11)3-4-13-7(14)5-1-2-6(17-5)18(12,15)16/h1-2H,3-4H2,(H,13,14)(H2,12,15,16).
What are the key properties of 5-sulfamoyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide?
5-sulfamoyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-sulfamoyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide is sourced from PubChem (CID 141117882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).