4-[2-(6-chloro-5-fluoro-3-pyridinyl)cyclopenten-1-yl]benzenesulfonamide

C16H14ClFN2O2S — CID 22917706

IUPAC4-[2-(6-chloro-5-fluoro-3-pyridinyl)cyclopenten-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=C(c3cnc(Cl)c(F)c3)CCC2)cc1
InChIInChI=1S/C16H14ClFN2O2S/c17-16-15(18)8-11(9-20-16)14-3-1-2-13(14)10-4-6-12(7-5-10)23(19,21)22/h4-9H,1-3H2,(H2,19,21,22)
InChIKeySJUXOGYNJXEPGT-UHFFFAOYSA-N
MW352.82 g/mol
LogP3.62
Rot. Bonds3

About 4-[2-(6-chloro-5-fluoro-3-pyridinyl)cyclopenten-1-yl]benzenesulfonamide

4-[2-(6-chloro-5-fluoro-3-pyridinyl)cyclopenten-1-yl]benzenesulfonamide (PubChem CID 22917706) has the molecular formula C16H14ClFN2O2S and a molecular weight of 352.82 g/mol. Its IUPAC name is 4-[2-(6-chloro-5-fluoro-3-pyridinyl)cyclopenten-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(6-chloro-5-fluoro-3-pyridinyl)cyclopenten-1-yl]benzenesulfonamide
PubChem CID22917706
Molecular FormulaC16H14ClFN2O2S
Molecular Weight352.82 g/mol
Exact Mass352.04
IUPAC Name4-[2-(6-chloro-5-fluoro-3-pyridinyl)cyclopenten-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=C(c3cnc(Cl)c(F)c3)CCC2)cc1
InChIInChI=1S/C16H14ClFN2O2S/c17-16-15(18)8-11(9-20-16)14-3-1-2-13(14)10-4-6-12(7-5-10)23(19,21)22/h4-9H,1-3H2,(H2,19,21,22)
InChIKeySJUXOGYNJXEPGT-UHFFFAOYSA-N
XLogP3.62
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-chloro-5-fluoro-3-pyridinyl)cyclopenten-1-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(6-chloro-5-fluoro-3-pyridinyl)cyclopenten-1-yl]benzenesulfonamide (CID 22917706) is 4-[2-(6-chloro-5-fluoro-3-pyridinyl)cyclopenten-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(6-chloro-5-fluoro-3-pyridinyl)cyclopenten-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(6-chloro-5-fluoro-3-pyridinyl)cyclopenten-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(C2=C(c3cnc(Cl)c(F)c3)CCC2)cc1.
What is the InChIKey of 4-[2-(6-chloro-5-fluoro-3-pyridinyl)cyclopenten-1-yl]benzenesulfonamide?
The InChIKey is SJUXOGYNJXEPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O2S/c17-16-15(18)8-11(9-20-16)14-3-1-2-13(14)10-4-6-12(7-5-10)23(19,21)22/h4-9H,1-3H2,(H2,19,21,22).
What are the key properties of 4-[2-(6-chloro-5-fluoro-3-pyridinyl)cyclopenten-1-yl]benzenesulfonamide?
4-[2-(6-chloro-5-fluoro-3-pyridinyl)cyclopenten-1-yl]benzenesulfonamide has a molecular weight of 352.82 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-chloro-5-fluoro-3-pyridinyl)cyclopenten-1-yl]benzenesulfonamide is sourced from PubChem (CID 22917706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).