1-cyclopropyl-4-[1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one

C18H18F2N2O4S — CID 91814928

IUPAC1-cyclopropyl-4-[1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one
SMILESCc1cc(OC2CN(S(=O)(=O)c3c(F)cccc3F)C2)cc(=O)n1C1CC1
InChIInChI=1S/C18H18F2N2O4S/c1-11-7-13(8-17(23)22(11)12-5-6-12)26-14-9-21(10-14)27(24,25)18-15(19)3-2-4-16(18)20/h2-4,7-8,12,14H,5-6,9-10H2,1H3
InChIKeyCMZBQIUQAHUSTQ-UHFFFAOYSA-N
MW396.42 g/mol
LogP2.22
Rot. Bonds5

About 1-cyclopropyl-4-[1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one

1-cyclopropyl-4-[1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one (PubChem CID 91814928) has the molecular formula C18H18F2N2O4S and a molecular weight of 396.42 g/mol. Its IUPAC name is 1-cyclopropyl-4-[1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-[1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one
PubChem CID91814928
Molecular FormulaC18H18F2N2O4S
Molecular Weight396.42 g/mol
Exact Mass396.10
IUPAC Name1-cyclopropyl-4-[1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one
SMILESCc1cc(OC2CN(S(=O)(=O)c3c(F)cccc3F)C2)cc(=O)n1C1CC1
InChIInChI=1S/C18H18F2N2O4S/c1-11-7-13(8-17(23)22(11)12-5-6-12)26-14-9-21(10-14)27(24,25)18-15(19)3-2-4-16(18)20/h2-4,7-8,12,14H,5-6,9-10H2,1H3
InChIKeyCMZBQIUQAHUSTQ-UHFFFAOYSA-N
XLogP2.22
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one?
The IUPAC name of 1-cyclopropyl-4-[1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one (CID 91814928) is 1-cyclopropyl-4-[1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-[1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one?
The canonical SMILES for 1-cyclopropyl-4-[1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one is Cc1cc(OC2CN(S(=O)(=O)c3c(F)cccc3F)C2)cc(=O)n1C1CC1.
What is the InChIKey of 1-cyclopropyl-4-[1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one?
The InChIKey is CMZBQIUQAHUSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O4S/c1-11-7-13(8-17(23)22(11)12-5-6-12)26-14-9-21(10-14)27(24,25)18-15(19)3-2-4-16(18)20/h2-4,7-8,12,14H,5-6,9-10H2,1H3.
What are the key properties of 1-cyclopropyl-4-[1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one?
1-cyclopropyl-4-[1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one has a molecular weight of 396.42 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one is sourced from PubChem (CID 91814928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).