5-cyano-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide

C10H11F3N2O2S2 — CID 106267891

IUPAC5-cyano-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C10H11F3N2O2S2/c1-2-5-15(7-10(11,12)13)19(16,17)9-4-3-8(6-14)18-9/h3-4H,2,5,7H2,1H3
InChIKeyWXYCBOIQNNEAIH-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.58
Rot. Bonds5

About 5-cyano-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide

5-cyano-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (PubChem CID 106267891) has the molecular formula C10H11F3N2O2S2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 5-cyano-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
PubChem CID106267891
Molecular FormulaC10H11F3N2O2S2
Molecular Weight312.34 g/mol
Exact Mass312.02
IUPAC Name5-cyano-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C10H11F3N2O2S2/c1-2-5-15(7-10(11,12)13)19(16,17)9-4-3-8(6-14)18-9/h3-4H,2,5,7H2,1H3
InChIKeyWXYCBOIQNNEAIH-UHFFFAOYSA-N
XLogP2.58
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (CID 106267891) is 5-cyano-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is CCCN(CC(F)(F)F)S(=O)(=O)c1ccc(C#N)s1.
What is the InChIKey of 5-cyano-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The InChIKey is WXYCBOIQNNEAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2S2/c1-2-5-15(7-10(11,12)13)19(16,17)9-4-3-8(6-14)18-9/h3-4H,2,5,7H2,1H3.
What are the key properties of 5-cyano-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
5-cyano-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide has a molecular weight of 312.34 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106267891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).