SC-57666

C18H17FO2S — CID 443373

IUPAC1-fluoro-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene
SMILESCS(=O)(=O)C1=CC=C(C=C1)C2=C(CCC2)C3=CC=C(C=C3)F
InChIInChI=1S/C18H17FO2S/c1-22(20,21)16-11-7-14(8-12-16)18-4-2-3-17(18)13-5-9-15(19)10-6-13/h5-12H,2-4H2,1H3
InChIKeyGJGZQTGPOKPFES-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.60
Rot. Bonds3

About SC-57666

SC-57666 (PubChem CID 443373) has the molecular formula C18H17FO2S and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-fluoro-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene.

Molecular Properties

Compound NameSC-57666
PubChem CID443373
Molecular FormulaC18H17FO2S
Molecular Weight316.40 g/mol
Exact Mass316.09
IUPAC Name1-fluoro-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene
SMILESCS(=O)(=O)C1=CC=C(C=C1)C2=C(CCC2)C3=CC=C(C=C3)F
InChIInChI=1S/C18H17FO2S/c1-22(20,21)16-11-7-14(8-12-16)18-4-2-3-17(18)13-5-9-15(19)10-6-13/h5-12H,2-4H2,1H3
InChIKeyGJGZQTGPOKPFES-UHFFFAOYSA-N
XLogP3.60
TPSA42.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity516

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of SC-57666?
The IUPAC name of SC-57666 (CID 443373) is 1-fluoro-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene.
What is the SMILES notation for SC-57666?
The canonical SMILES for SC-57666 is CS(=O)(=O)C1=CC=C(C=C1)C2=C(CCC2)C3=CC=C(C=C3)F.
What is the InChIKey of SC-57666?
The InChIKey is GJGZQTGPOKPFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FO2S/c1-22(20,21)16-11-7-14(8-12-16)18-4-2-3-17(18)13-5-9-15(19)10-6-13/h5-12H,2-4H2,1H3.
What are the key properties of SC-57666?
SC-57666 has a molecular weight of 316.40 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for SC-57666 is sourced from PubChem (CID 443373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).