5-(3-fluorophenyl)sulfonyl-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

C20H15F4NO3S2 — CID 2815281

IUPAC5-(3-fluorophenyl)sulfonyl-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESO=S(=O)(c1cccc(F)c1)N1CCc2sccc2C1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H15F4NO3S2/c21-14-2-1-3-16(12-14)30(26,27)25-10-8-18-17(9-11-29-18)19(25)13-4-6-15(7-5-13)28-20(22,23)24/h1-7,9,11-12,19H,8,10H2
InChIKeyRXXNJYLMCFRUCQ-UHFFFAOYSA-N
MW457.47 g/mol
LogP5.12
Rot. Bonds4

About 5-(3-fluorophenyl)sulfonyl-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-(3-fluorophenyl)sulfonyl-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 2815281) has the molecular formula C20H15F4NO3S2 and a molecular weight of 457.47 g/mol. Its IUPAC name is 5-(3-fluorophenyl)sulfonyl-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-(3-fluorophenyl)sulfonyl-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID2815281
Molecular FormulaC20H15F4NO3S2
Molecular Weight457.47 g/mol
Exact Mass457.04
IUPAC Name5-(3-fluorophenyl)sulfonyl-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESO=S(=O)(c1cccc(F)c1)N1CCc2sccc2C1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H15F4NO3S2/c21-14-2-1-3-16(12-14)30(26,27)25-10-8-18-17(9-11-29-18)19(25)13-4-6-15(7-5-13)28-20(22,23)24/h1-7,9,11-12,19H,8,10H2
InChIKeyRXXNJYLMCFRUCQ-UHFFFAOYSA-N
XLogP5.12
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.47
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(3-fluorophenyl)sulfonyl-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)sulfonyl-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-(3-fluorophenyl)sulfonyl-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 2815281) is 5-(3-fluorophenyl)sulfonyl-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-(3-fluorophenyl)sulfonyl-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-(3-fluorophenyl)sulfonyl-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is O=S(=O)(c1cccc(F)c1)N1CCc2sccc2C1c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 5-(3-fluorophenyl)sulfonyl-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is RXXNJYLMCFRUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4NO3S2/c21-14-2-1-3-16(12-14)30(26,27)25-10-8-18-17(9-11-29-18)19(25)13-4-6-15(7-5-13)28-20(22,23)24/h1-7,9,11-12,19H,8,10H2.
What are the key properties of 5-(3-fluorophenyl)sulfonyl-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-(3-fluorophenyl)sulfonyl-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 457.47 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)sulfonyl-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 2815281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).