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

C19H21FN2O4S — CID 121156124

IUPAC1-cyclopropyl-4-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one
SMILESCc1cc(F)ccc1S(=O)(=O)N1CC(Oc2cc(C)n(C3CC3)c(=O)c2)C1
InChIInChI=1S/C19H21FN2O4S/c1-12-7-14(20)3-6-18(12)27(24,25)21-10-17(11-21)26-16-8-13(2)22(15-4-5-15)19(23)9-16/h3,6-9,15,17H,4-5,10-11H2,1-2H3
InChIKeyKEKORURJCPCGIY-UHFFFAOYSA-N
MW392.45 g/mol
LogP2.39
Rot. Bonds5

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

1-cyclopropyl-4-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one (PubChem CID 121156124) has the molecular formula C19H21FN2O4S and a molecular weight of 392.45 g/mol. Its IUPAC name is 1-cyclopropyl-4-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one
PubChem CID121156124
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC Name1-cyclopropyl-4-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one
SMILESCc1cc(F)ccc1S(=O)(=O)N1CC(Oc2cc(C)n(C3CC3)c(=O)c2)C1
InChIInChI=1S/C19H21FN2O4S/c1-12-7-14(20)3-6-18(12)27(24,25)21-10-17(11-21)26-16-8-13(2)22(15-4-5-15)19(23)9-16/h3,6-9,15,17H,4-5,10-11H2,1-2H3
InChIKeyKEKORURJCPCGIY-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-2-methylphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one?
The IUPAC name of 1-cyclopropyl-4-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one (CID 121156124) is 1-cyclopropyl-4-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one?
The canonical SMILES for 1-cyclopropyl-4-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one is Cc1cc(F)ccc1S(=O)(=O)N1CC(Oc2cc(C)n(C3CC3)c(=O)c2)C1.
What is the InChIKey of 1-cyclopropyl-4-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one?
The InChIKey is KEKORURJCPCGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4S/c1-12-7-14(20)3-6-18(12)27(24,25)21-10-17(11-21)26-16-8-13(2)22(15-4-5-15)19(23)9-16/h3,6-9,15,17H,4-5,10-11H2,1-2H3.
What are the key properties of 1-cyclopropyl-4-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one?
1-cyclopropyl-4-[1-(4-fluoro-2-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-2-methylphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one is sourced from PubChem (CID 121156124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).