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

C19H21FN2O4S — CID 91814925

IUPAC1-cyclopropyl-4-[1-(4-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one
SMILESCc1cc(S(=O)(=O)N2CC(Oc3cc(C)n(C4CC4)c(=O)c3)C2)ccc1F
InChIInChI=1S/C19H21FN2O4S/c1-12-7-17(5-6-18(12)20)27(24,25)21-10-16(11-21)26-15-8-13(2)22(14-3-4-14)19(23)9-15/h5-9,14,16H,3-4,10-11H2,1-2H3
InChIKeyQNOXBGPFMSRQRY-UHFFFAOYSA-N
MW392.45 g/mol
LogP2.39
Rot. Bonds5

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

1-cyclopropyl-4-[1-(4-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one (PubChem CID 91814925) has the molecular formula C19H21FN2O4S and a molecular weight of 392.45 g/mol. Its IUPAC name is 1-cyclopropyl-4-[1-(4-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-[1-(4-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one
PubChem CID91814925
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC Name1-cyclopropyl-4-[1-(4-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one
SMILESCc1cc(S(=O)(=O)N2CC(Oc3cc(C)n(C4CC4)c(=O)c3)C2)ccc1F
InChIInChI=1S/C19H21FN2O4S/c1-12-7-17(5-6-18(12)20)27(24,25)21-10-16(11-21)26-15-8-13(2)22(14-3-4-14)19(23)9-15/h5-9,14,16H,3-4,10-11H2,1-2H3
InChIKeyQNOXBGPFMSRQRY-UHFFFAOYSA-N
XLogP2.39
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 52.39
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-(4-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one?
The IUPAC name of 1-cyclopropyl-4-[1-(4-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one (CID 91814925) is 1-cyclopropyl-4-[1-(4-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-[1-(4-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one?
The canonical SMILES for 1-cyclopropyl-4-[1-(4-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one is Cc1cc(S(=O)(=O)N2CC(Oc3cc(C)n(C4CC4)c(=O)c3)C2)ccc1F.
What is the InChIKey of 1-cyclopropyl-4-[1-(4-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one?
The InChIKey is QNOXBGPFMSRQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4S/c1-12-7-17(5-6-18(12)20)27(24,25)21-10-16(11-21)26-15-8-13(2)22(14-3-4-14)19(23)9-15/h5-9,14,16H,3-4,10-11H2,1-2H3.
What are the key properties of 1-cyclopropyl-4-[1-(4-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one?
1-cyclopropyl-4-[1-(4-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one has a molecular weight of 392.45 g/mol, XLogP of 2.39, 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-(4-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one is sourced from PubChem (CID 91814925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).