5-cyano-N-(5,5,5-trifluoropentyl)thiophene-2-sulfonamide

C10H11F3N2O2S2 — CID 106268773

IUPAC5-cyano-N-(5,5,5-trifluoropentyl)thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCCCCC(F)(F)F)s1
InChIInChI=1S/C10H11F3N2O2S2/c11-10(12,13)5-1-2-6-15-19(16,17)9-4-3-8(7-14)18-9/h3-4,15H,1-2,5-6H2
InChIKeyQTFNVTXUHXEELL-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.63
Rot. Bonds6

About 5-cyano-N-(5,5,5-trifluoropentyl)thiophene-2-sulfonamide

5-cyano-N-(5,5,5-trifluoropentyl)thiophene-2-sulfonamide (PubChem CID 106268773) has the molecular formula C10H11F3N2O2S2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 5-cyano-N-(5,5,5-trifluoropentyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(5,5,5-trifluoropentyl)thiophene-2-sulfonamide
PubChem CID106268773
Molecular FormulaC10H11F3N2O2S2
Molecular Weight312.34 g/mol
Exact Mass312.02
IUPAC Name5-cyano-N-(5,5,5-trifluoropentyl)thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCCCCC(F)(F)F)s1
InChIInChI=1S/C10H11F3N2O2S2/c11-10(12,13)5-1-2-6-15-19(16,17)9-4-3-8(7-14)18-9/h3-4,15H,1-2,5-6H2
InChIKeyQTFNVTXUHXEELL-UHFFFAOYSA-N
XLogP2.63
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(5,5,5-trifluoropentyl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-(5,5,5-trifluoropentyl)thiophene-2-sulfonamide (CID 106268773) is 5-cyano-N-(5,5,5-trifluoropentyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-(5,5,5-trifluoropentyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-(5,5,5-trifluoropentyl)thiophene-2-sulfonamide is N#Cc1ccc(S(=O)(=O)NCCCCC(F)(F)F)s1.
What is the InChIKey of 5-cyano-N-(5,5,5-trifluoropentyl)thiophene-2-sulfonamide?
The InChIKey is QTFNVTXUHXEELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2S2/c11-10(12,13)5-1-2-6-15-19(16,17)9-4-3-8(7-14)18-9/h3-4,15H,1-2,5-6H2.
What are the key properties of 5-cyano-N-(5,5,5-trifluoropentyl)thiophene-2-sulfonamide?
5-cyano-N-(5,5,5-trifluoropentyl)thiophene-2-sulfonamide has a molecular weight of 312.34 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(5,5,5-trifluoropentyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106268773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).