N-(2-cyanoethyl)-4,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide

C11H13F3N2O2S2 — CID 86807303

IUPACN-(2-cyanoethyl)-4,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)N(CCC#N)CC(F)(F)F)sc1C
InChIInChI=1S/C11H13F3N2O2S2/c1-8-6-10(19-9(8)2)20(17,18)16(5-3-4-15)7-11(12,13)14/h6H,3,5,7H2,1-2H3
InChIKeyVDTHOKMHWMQSPY-UHFFFAOYSA-N
MW326.37 g/mol
LogP2.83
Rot. Bonds5

About N-(2-cyanoethyl)-4,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide

N-(2-cyanoethyl)-4,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (PubChem CID 86807303) has the molecular formula C11H13F3N2O2S2 and a molecular weight of 326.37 g/mol. Its IUPAC name is N-(2-cyanoethyl)-4,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-4,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
PubChem CID86807303
Molecular FormulaC11H13F3N2O2S2
Molecular Weight326.37 g/mol
Exact Mass326.04
IUPAC NameN-(2-cyanoethyl)-4,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)N(CCC#N)CC(F)(F)F)sc1C
InChIInChI=1S/C11H13F3N2O2S2/c1-8-6-10(19-9(8)2)20(17,18)16(5-3-4-15)7-11(12,13)14/h6H,3,5,7H2,1-2H3
InChIKeyVDTHOKMHWMQSPY-UHFFFAOYSA-N
XLogP2.83
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-4,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(2-cyanoethyl)-4,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (CID 86807303) is N-(2-cyanoethyl)-4,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-4,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-4,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is Cc1cc(S(=O)(=O)N(CCC#N)CC(F)(F)F)sc1C.
What is the InChIKey of N-(2-cyanoethyl)-4,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The InChIKey is VDTHOKMHWMQSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2S2/c1-8-6-10(19-9(8)2)20(17,18)16(5-3-4-15)7-11(12,13)14/h6H,3,5,7H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-4,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
N-(2-cyanoethyl)-4,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide has a molecular weight of 326.37 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-4,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 86807303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).