6-(trifluoromethylsulfonyl)-7H-thieno[2,3-c]pyridine

C8H6F3NO2S2 — CID 154721474

IUPAC6-(trifluoromethylsulfonyl)-7H-thieno[2,3-c]pyridine
SMILESO=S(=O)(N1C=Cc2ccsc2C1)C(F)(F)F
InChIInChI=1S/C8H6F3NO2S2/c9-8(10,11)16(13,14)12-3-1-6-2-4-15-7(6)5-12/h1-4H,5H2
InChIKeyCSONCQNTQYKYLC-UHFFFAOYSA-N
MW269.27 g/mol
LogP2.38
Rot. Bonds1

About 6-(trifluoromethylsulfonyl)-7H-thieno[2,3-c]pyridine

6-(trifluoromethylsulfonyl)-7H-thieno[2,3-c]pyridine (PubChem CID 154721474) has the molecular formula C8H6F3NO2S2 and a molecular weight of 269.27 g/mol. Its IUPAC name is 6-(trifluoromethylsulfonyl)-7H-thieno[2,3-c]pyridine.

Molecular Properties

Compound Name6-(trifluoromethylsulfonyl)-7H-thieno[2,3-c]pyridine
PubChem CID154721474
Molecular FormulaC8H6F3NO2S2
Molecular Weight269.27 g/mol
Exact Mass268.98
IUPAC Name6-(trifluoromethylsulfonyl)-7H-thieno[2,3-c]pyridine
SMILESO=S(=O)(N1C=Cc2ccsc2C1)C(F)(F)F
InChIInChI=1S/C8H6F3NO2S2/c9-8(10,11)16(13,14)12-3-1-6-2-4-15-7(6)5-12/h1-4H,5H2
InChIKeyCSONCQNTQYKYLC-UHFFFAOYSA-N
XLogP2.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methylthieno[2,3-c]pyridine-7-thione
CID 121405862
2-(1,1-dioxothian-4-yl)-N-[[2-(trifluoromethyl)thiophen-3-yl]methyl]ethanamine
CID 136554643
4-Fluoro-6-methylthieno[2,3-c]pyridine-7-thione
CID 121405858
N-benzyl-N-[(E)-prop-1-enyl]thiophene-2-sulfonamide
CID 155930180
3-fluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 18192010
N-(thiophen-3-ylmethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 49717192
1-phenyl-N-(thiophen-3-ylmethyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 49717198
2-fluoro-N-(thiophen-3-ylmethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 49717199
4-fluoro-N-(thiophen-3-ylmethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 49717200
3-fluoro-N-(thiophen-3-ylmethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 49717201
(E)-2-phenyl-N-(thiophen-3-ylmethyl)-N-(2,2,2-trifluoroethyl)ethenesulfonamide
CID 49717205
2-phenyl-N-(thiophen-3-ylmethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 49717209

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethylsulfonyl)-7H-thieno[2,3-c]pyridine?
The IUPAC name of 6-(trifluoromethylsulfonyl)-7H-thieno[2,3-c]pyridine (CID 154721474) is 6-(trifluoromethylsulfonyl)-7H-thieno[2,3-c]pyridine.
What is the SMILES notation for 6-(trifluoromethylsulfonyl)-7H-thieno[2,3-c]pyridine?
The canonical SMILES for 6-(trifluoromethylsulfonyl)-7H-thieno[2,3-c]pyridine is O=S(=O)(N1C=Cc2ccsc2C1)C(F)(F)F.
What is the InChIKey of 6-(trifluoromethylsulfonyl)-7H-thieno[2,3-c]pyridine?
The InChIKey is CSONCQNTQYKYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO2S2/c9-8(10,11)16(13,14)12-3-1-6-2-4-15-7(6)5-12/h1-4H,5H2.
What are the key properties of 6-(trifluoromethylsulfonyl)-7H-thieno[2,3-c]pyridine?
6-(trifluoromethylsulfonyl)-7H-thieno[2,3-c]pyridine has a molecular weight of 269.27 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethylsulfonyl)-7H-thieno[2,3-c]pyridine is sourced from PubChem (CID 154721474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).