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

C18H16ClF2NO2S — CID 22917463

IUPAC2-chloro-3-(difluoromethyl)-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine
SMILESCS(=O)(=O)c1ccc(C2=C(c3cnc(Cl)c(C(F)F)c3)CCC2)cc1
InChIInChI=1S/C18H16ClF2NO2S/c1-25(23,24)13-7-5-11(6-8-13)14-3-2-4-15(14)12-9-16(18(20)21)17(19)22-10-12/h5-10,18H,2-4H2,1H3
InChIKeyMXUQOWCSBXFWLB-UHFFFAOYSA-N
MW383.85 g/mol
LogP5.17
Rot. Bonds4

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

2-chloro-3-(difluoromethyl)-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine (PubChem CID 22917463) has the molecular formula C18H16ClF2NO2S and a molecular weight of 383.85 g/mol. Its IUPAC name is 2-chloro-3-(difluoromethyl)-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine.

Molecular Properties

Compound Name2-chloro-3-(difluoromethyl)-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine
PubChem CID22917463
Molecular FormulaC18H16ClF2NO2S
Molecular Weight383.85 g/mol
Exact Mass383.06
IUPAC Name2-chloro-3-(difluoromethyl)-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine
SMILESCS(=O)(=O)c1ccc(C2=C(c3cnc(Cl)c(C(F)F)c3)CCC2)cc1
InChIInChI=1S/C18H16ClF2NO2S/c1-25(23,24)13-7-5-11(6-8-13)14-3-2-4-15(14)12-9-16(18(20)21)17(19)22-10-12/h5-10,18H,2-4H2,1H3
InChIKeyMXUQOWCSBXFWLB-UHFFFAOYSA-N
XLogP5.17
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.85
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-3-(difluoromethyl)-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-chloro-3-(difluoromethyl)-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine?
The IUPAC name of 2-chloro-3-(difluoromethyl)-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine (CID 22917463) is 2-chloro-3-(difluoromethyl)-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine.
What is the SMILES notation for 2-chloro-3-(difluoromethyl)-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine?
The canonical SMILES for 2-chloro-3-(difluoromethyl)-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine is CS(=O)(=O)c1ccc(C2=C(c3cnc(Cl)c(C(F)F)c3)CCC2)cc1.
What is the InChIKey of 2-chloro-3-(difluoromethyl)-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine?
The InChIKey is MXUQOWCSBXFWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF2NO2S/c1-25(23,24)13-7-5-11(6-8-13)14-3-2-4-15(14)12-9-16(18(20)21)17(19)22-10-12/h5-10,18H,2-4H2,1H3.
What are the key properties of 2-chloro-3-(difluoromethyl)-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine?
2-chloro-3-(difluoromethyl)-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine has a molecular weight of 383.85 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(difluoromethyl)-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine is sourced from PubChem (CID 22917463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).