2-(difluoromethyl)-3-methoxy-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine

C19H19F2NO3S — CID 22917298

IUPAC2-(difluoromethyl)-3-methoxy-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine
SMILESCOc1cc(C2=C(c3ccc(S(C)(=O)=O)cc3)CCC2)cnc1C(F)F
InChIInChI=1S/C19H19F2NO3S/c1-25-17-10-13(11-22-18(17)19(20)21)16-5-3-4-15(16)12-6-8-14(9-7-12)26(2,23)24/h6-11,19H,3-5H2,1-2H3
InChIKeyUXAIIGQGOUTGFL-UHFFFAOYSA-N
MW379.43 g/mol
LogP4.53
Rot. Bonds5

About 2-(difluoromethyl)-3-methoxy-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine

2-(difluoromethyl)-3-methoxy-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine (PubChem CID 22917298) has the molecular formula C19H19F2NO3S and a molecular weight of 379.43 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-methoxy-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine.

Molecular Properties

Compound Name2-(difluoromethyl)-3-methoxy-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine
PubChem CID22917298
Molecular FormulaC19H19F2NO3S
Molecular Weight379.43 g/mol
Exact Mass379.11
IUPAC Name2-(difluoromethyl)-3-methoxy-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine
SMILESCOc1cc(C2=C(c3ccc(S(C)(=O)=O)cc3)CCC2)cnc1C(F)F
InChIInChI=1S/C19H19F2NO3S/c1-25-17-10-13(11-22-18(17)19(20)21)16-5-3-4-15(16)12-6-8-14(9-7-12)26(2,23)24/h6-11,19H,3-5H2,1-2H3
InChIKeyUXAIIGQGOUTGFL-UHFFFAOYSA-N
XLogP4.53
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(difluoromethyl)-3-methoxy-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]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 2-(difluoromethyl)-3-methoxy-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine?
The IUPAC name of 2-(difluoromethyl)-3-methoxy-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine (CID 22917298) is 2-(difluoromethyl)-3-methoxy-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine.
What is the SMILES notation for 2-(difluoromethyl)-3-methoxy-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine?
The canonical SMILES for 2-(difluoromethyl)-3-methoxy-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine is COc1cc(C2=C(c3ccc(S(C)(=O)=O)cc3)CCC2)cnc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-3-methoxy-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine?
The InChIKey is UXAIIGQGOUTGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO3S/c1-25-17-10-13(11-22-18(17)19(20)21)16-5-3-4-15(16)12-6-8-14(9-7-12)26(2,23)24/h6-11,19H,3-5H2,1-2H3.
What are the key properties of 2-(difluoromethyl)-3-methoxy-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine?
2-(difluoromethyl)-3-methoxy-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine has a molecular weight of 379.43 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3-methoxy-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine is sourced from PubChem (CID 22917298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).