2-thiophen-2-ylsulfonyl-4-(trifluoromethyl)pyridine

C10H6F3NO2S2 — CID 2821093

IUPAC2-thiophen-2-ylsulfonyl-4-(trifluoromethyl)pyridine
SMILESO=S(=O)(c1cc(C(F)(F)F)ccn1)c1cccs1
InChIInChI=1S/C10H6F3NO2S2/c11-10(12,13)7-3-4-14-8(6-7)18(15,16)9-2-1-5-17-9/h1-6H
InChIKeyYULWTMPBCAOWLI-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.99
Rot. Bonds2

About 2-thiophen-2-ylsulfonyl-4-(trifluoromethyl)pyridine

2-thiophen-2-ylsulfonyl-4-(trifluoromethyl)pyridine (PubChem CID 2821093) has the molecular formula C10H6F3NO2S2 and a molecular weight of 293.29 g/mol. Its IUPAC name is 2-thiophen-2-ylsulfonyl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-thiophen-2-ylsulfonyl-4-(trifluoromethyl)pyridine
PubChem CID2821093
Molecular FormulaC10H6F3NO2S2
Molecular Weight293.29 g/mol
Exact Mass292.98
IUPAC Name2-thiophen-2-ylsulfonyl-4-(trifluoromethyl)pyridine
SMILESO=S(=O)(c1cc(C(F)(F)F)ccn1)c1cccs1
InChIInChI=1S/C10H6F3NO2S2/c11-10(12,13)7-3-4-14-8(6-7)18(15,16)9-2-1-5-17-9/h1-6H
InChIKeyYULWTMPBCAOWLI-UHFFFAOYSA-N
XLogP2.99
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylsulfonyl-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-thiophen-2-ylsulfonyl-4-(trifluoromethyl)pyridine (CID 2821093) is 2-thiophen-2-ylsulfonyl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-thiophen-2-ylsulfonyl-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-thiophen-2-ylsulfonyl-4-(trifluoromethyl)pyridine is O=S(=O)(c1cc(C(F)(F)F)ccn1)c1cccs1.
What is the InChIKey of 2-thiophen-2-ylsulfonyl-4-(trifluoromethyl)pyridine?
The InChIKey is YULWTMPBCAOWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO2S2/c11-10(12,13)7-3-4-14-8(6-7)18(15,16)9-2-1-5-17-9/h1-6H.
What are the key properties of 2-thiophen-2-ylsulfonyl-4-(trifluoromethyl)pyridine?
2-thiophen-2-ylsulfonyl-4-(trifluoromethyl)pyridine has a molecular weight of 293.29 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylsulfonyl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 2821093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).