[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(4-thiophen-2-ylphenyl)methanone

C20H16FNO3S2 — CID 71809231

IUPAC[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(4-thiophen-2-ylphenyl)methanone
SMILESO=C(c1ccc(-c2cccs2)cc1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C20H16FNO3S2/c21-16-7-9-17(10-8-16)27(24,25)18-12-22(13-18)20(23)15-5-3-14(4-6-15)19-2-1-11-26-19/h1-11,18H,12-13H2
InChIKeyRLTBIIKDMIFYPP-UHFFFAOYSA-N
MW401.48 g/mol
LogP3.85
Rot. Bonds4

About [3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(4-thiophen-2-ylphenyl)methanone

[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(4-thiophen-2-ylphenyl)methanone (PubChem CID 71809231) has the molecular formula C20H16FNO3S2 and a molecular weight of 401.48 g/mol. Its IUPAC name is [3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(4-thiophen-2-ylphenyl)methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(4-thiophen-2-ylphenyl)methanone
PubChem CID71809231
Molecular FormulaC20H16FNO3S2
Molecular Weight401.48 g/mol
Exact Mass401.06
IUPAC Name[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(4-thiophen-2-ylphenyl)methanone
SMILESO=C(c1ccc(-c2cccs2)cc1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C20H16FNO3S2/c21-16-7-9-17(10-8-16)27(24,25)18-12-22(13-18)20(23)15-5-3-14(4-6-15)19-2-1-11-26-19/h1-11,18H,12-13H2
InChIKeyRLTBIIKDMIFYPP-UHFFFAOYSA-N
XLogP3.85
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.48
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(4-thiophen-2-ylphenyl)methanone?
The IUPAC name of [3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(4-thiophen-2-ylphenyl)methanone (CID 71809231) is [3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(4-thiophen-2-ylphenyl)methanone.
What is the SMILES notation for [3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(4-thiophen-2-ylphenyl)methanone?
The canonical SMILES for [3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(4-thiophen-2-ylphenyl)methanone is O=C(c1ccc(-c2cccs2)cc1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of [3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(4-thiophen-2-ylphenyl)methanone?
The InChIKey is RLTBIIKDMIFYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO3S2/c21-16-7-9-17(10-8-16)27(24,25)18-12-22(13-18)20(23)15-5-3-14(4-6-15)19-2-1-11-26-19/h1-11,18H,12-13H2.
What are the key properties of [3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(4-thiophen-2-ylphenyl)methanone?
[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(4-thiophen-2-ylphenyl)methanone has a molecular weight of 401.48 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(4-thiophen-2-ylphenyl)methanone is sourced from PubChem (CID 71809231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).