3-fluoro-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide

C8H11FN2O2S2 — CID 167348173

IUPAC3-fluoro-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
SMILESCN1CCc2sc(S(N)(=O)=O)c(F)c2C1
InChIInChI=1S/C8H11FN2O2S2/c1-11-3-2-6-5(4-11)7(9)8(14-6)15(10,12)13/h2-4H2,1H3,(H2,10,12,13)
InChIKeyJLQHHGXMKYZBSX-UHFFFAOYSA-N
MW250.32 g/mol
LogP0.52
Rot. Bonds1

About 3-fluoro-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide

3-fluoro-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide (PubChem CID 167348173) has the molecular formula C8H11FN2O2S2 and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-fluoro-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-fluoro-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
PubChem CID167348173
Molecular FormulaC8H11FN2O2S2
Molecular Weight250.32 g/mol
Exact Mass250.02
IUPAC Name3-fluoro-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
SMILESCN1CCc2sc(S(N)(=O)=O)c(F)c2C1
InChIInChI=1S/C8H11FN2O2S2/c1-11-3-2-6-5(4-11)7(9)8(14-6)15(10,12)13/h2-4H2,1H3,(H2,10,12,13)
InChIKeyJLQHHGXMKYZBSX-UHFFFAOYSA-N
XLogP0.52
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The IUPAC name of 3-fluoro-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide (CID 167348173) is 3-fluoro-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide.
What is the SMILES notation for 3-fluoro-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The canonical SMILES for 3-fluoro-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide is CN1CCc2sc(S(N)(=O)=O)c(F)c2C1.
What is the InChIKey of 3-fluoro-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The InChIKey is JLQHHGXMKYZBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O2S2/c1-11-3-2-6-5(4-11)7(9)8(14-6)15(10,12)13/h2-4H2,1H3,(H2,10,12,13).
What are the key properties of 3-fluoro-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
3-fluoro-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide has a molecular weight of 250.32 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide is sourced from PubChem (CID 167348173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).