5-(2,2-difluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide

C9H12F2N2O2S2 — CID 146610850

IUPAC5-(2,2-difluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1cc2c(s1)CCN(CC(F)F)C2
InChIInChI=1S/C9H12F2N2O2S2/c10-8(11)5-13-2-1-7-6(4-13)3-9(16-7)17(12,14)15/h3,8H,1-2,4-5H2,(H2,12,14,15)
InChIKeyKEERXUNPRBWJGI-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.02
Rot. Bonds3

About 5-(2,2-difluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide

5-(2,2-difluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide (PubChem CID 146610850) has the molecular formula C9H12F2N2O2S2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 5-(2,2-difluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-(2,2-difluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
PubChem CID146610850
Molecular FormulaC9H12F2N2O2S2
Molecular Weight282.34 g/mol
Exact Mass282.03
IUPAC Name5-(2,2-difluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1cc2c(s1)CCN(CC(F)F)C2
InChIInChI=1S/C9H12F2N2O2S2/c10-8(11)5-13-2-1-7-6(4-13)3-9(16-7)17(12,14)15/h3,8H,1-2,4-5H2,(H2,12,14,15)
InChIKeyKEERXUNPRBWJGI-UHFFFAOYSA-N
XLogP1.02
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The IUPAC name of 5-(2,2-difluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide (CID 146610850) is 5-(2,2-difluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide.
What is the SMILES notation for 5-(2,2-difluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The canonical SMILES for 5-(2,2-difluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide is NS(=O)(=O)c1cc2c(s1)CCN(CC(F)F)C2.
What is the InChIKey of 5-(2,2-difluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The InChIKey is KEERXUNPRBWJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O2S2/c10-8(11)5-13-2-1-7-6(4-13)3-9(16-7)17(12,14)15/h3,8H,1-2,4-5H2,(H2,12,14,15).
What are the key properties of 5-(2,2-difluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
5-(2,2-difluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide has a molecular weight of 282.34 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide is sourced from PubChem (CID 146610850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).