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

C7H6F2N2O2S2 — CID 106268767

IUPAC5-cyano-N-(2,2-difluoroethyl)thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCC(F)F)s1
InChIInChI=1S/C7H6F2N2O2S2/c8-6(9)4-11-15(12,13)7-2-1-5(3-10)14-7/h1-2,6,11H,4H2
InChIKeyUAVDXZKRZWTNJL-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.16
Rot. Bonds4

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

5-cyano-N-(2,2-difluoroethyl)thiophene-2-sulfonamide (PubChem CID 106268767) has the molecular formula C7H6F2N2O2S2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-cyano-N-(2,2-difluoroethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(2,2-difluoroethyl)thiophene-2-sulfonamide
PubChem CID106268767
Molecular FormulaC7H6F2N2O2S2
Molecular Weight252.27 g/mol
Exact Mass251.98
IUPAC Name5-cyano-N-(2,2-difluoroethyl)thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCC(F)F)s1
InChIInChI=1S/C7H6F2N2O2S2/c8-6(9)4-11-15(12,13)7-2-1-5(3-10)14-7/h1-2,6,11H,4H2
InChIKeyUAVDXZKRZWTNJL-UHFFFAOYSA-N
XLogP1.16
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(2,2-difluoroethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-(2,2-difluoroethyl)thiophene-2-sulfonamide (CID 106268767) is 5-cyano-N-(2,2-difluoroethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-(2,2-difluoroethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-(2,2-difluoroethyl)thiophene-2-sulfonamide is N#Cc1ccc(S(=O)(=O)NCC(F)F)s1.
What is the InChIKey of 5-cyano-N-(2,2-difluoroethyl)thiophene-2-sulfonamide?
The InChIKey is UAVDXZKRZWTNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O2S2/c8-6(9)4-11-15(12,13)7-2-1-5(3-10)14-7/h1-2,6,11H,4H2.
What are the key properties of 5-cyano-N-(2,2-difluoroethyl)thiophene-2-sulfonamide?
5-cyano-N-(2,2-difluoroethyl)thiophene-2-sulfonamide has a molecular weight of 252.27 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(2,2-difluoroethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106268767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).