(2,4-dimethoxyphenyl)-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone

C18H18FNO5S — CID 90593120

IUPAC(2,4-dimethoxyphenyl)-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CC(S(=O)(=O)c3ccc(F)cc3)C2)c(OC)c1
InChIInChI=1S/C18H18FNO5S/c1-24-13-5-8-16(17(9-13)25-2)18(21)20-10-15(11-20)26(22,23)14-6-3-12(19)4-7-14/h3-9,15H,10-11H2,1-2H3
InChIKeyVFPWMXHGLKIITR-UHFFFAOYSA-N
MW379.41 g/mol
LogP2.14
Rot. Bonds5

About (2,4-dimethoxyphenyl)-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone

(2,4-dimethoxyphenyl)-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone (PubChem CID 90593120) has the molecular formula C18H18FNO5S and a molecular weight of 379.41 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone
PubChem CID90593120
Molecular FormulaC18H18FNO5S
Molecular Weight379.41 g/mol
Exact Mass379.09
IUPAC Name(2,4-dimethoxyphenyl)-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CC(S(=O)(=O)c3ccc(F)cc3)C2)c(OC)c1
InChIInChI=1S/C18H18FNO5S/c1-24-13-5-8-16(17(9-13)25-2)18(21)20-10-15(11-20)26(22,23)14-6-3-12(19)4-7-14/h3-9,15H,10-11H2,1-2H3
InChIKeyVFPWMXHGLKIITR-UHFFFAOYSA-N
XLogP2.14
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone?
The IUPAC name of (2,4-dimethoxyphenyl)-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone (CID 90593120) is (2,4-dimethoxyphenyl)-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethoxyphenyl)-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethoxyphenyl)-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone is COc1ccc(C(=O)N2CC(S(=O)(=O)c3ccc(F)cc3)C2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone?
The InChIKey is VFPWMXHGLKIITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO5S/c1-24-13-5-8-16(17(9-13)25-2)18(21)20-10-15(11-20)26(22,23)14-6-3-12(19)4-7-14/h3-9,15H,10-11H2,1-2H3.
What are the key properties of (2,4-dimethoxyphenyl)-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone?
(2,4-dimethoxyphenyl)-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone has a molecular weight of 379.41 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone is sourced from PubChem (CID 90593120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).