5-cyano-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide

C8H7F3N2O2S2 — CID 106268196

IUPAC5-cyano-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCCC(F)(F)F)s1
InChIInChI=1S/C8H7F3N2O2S2/c9-8(10,11)3-4-13-17(14,15)7-2-1-6(5-12)16-7/h1-2,13H,3-4H2
InChIKeyVKGJKODYTYWPOE-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.85
Rot. Bonds4

About 5-cyano-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide

5-cyano-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide (PubChem CID 106268196) has the molecular formula C8H7F3N2O2S2 and a molecular weight of 284.28 g/mol. Its IUPAC name is 5-cyano-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
PubChem CID106268196
Molecular FormulaC8H7F3N2O2S2
Molecular Weight284.28 g/mol
Exact Mass283.99
IUPAC Name5-cyano-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCCC(F)(F)F)s1
InChIInChI=1S/C8H7F3N2O2S2/c9-8(10,11)3-4-13-17(14,15)7-2-1-6(5-12)16-7/h1-2,13H,3-4H2
InChIKeyVKGJKODYTYWPOE-UHFFFAOYSA-N
XLogP1.85
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide (CID 106268196) is 5-cyano-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide is N#Cc1ccc(S(=O)(=O)NCCC(F)(F)F)s1.
What is the InChIKey of 5-cyano-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide?
The InChIKey is VKGJKODYTYWPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2S2/c9-8(10,11)3-4-13-17(14,15)7-2-1-6(5-12)16-7/h1-2,13H,3-4H2.
What are the key properties of 5-cyano-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide?
5-cyano-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide has a molecular weight of 284.28 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106268196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).