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

C19H21ClN2O4S — CID 91814931

IUPAC4-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CC(Oc2cc(C)n(C3CC3)c(=O)c2)C1
InChIInChI=1S/C19H21ClN2O4S/c1-12-8-15(9-19(23)22(12)14-6-7-14)26-16-10-21(11-16)27(24,25)18-5-3-4-17(20)13(18)2/h3-5,8-9,14,16H,6-7,10-11H2,1-2H3
InChIKeyMRQWLBLHTMBSBK-UHFFFAOYSA-N
MW408.91 g/mol
LogP2.91
Rot. Bonds5

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

4-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one (PubChem CID 91814931) has the molecular formula C19H21ClN2O4S and a molecular weight of 408.91 g/mol. Its IUPAC name is 4-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one.

Molecular Properties

Compound Name4-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one
PubChem CID91814931
Molecular FormulaC19H21ClN2O4S
Molecular Weight408.91 g/mol
Exact Mass408.09
IUPAC Name4-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CC(Oc2cc(C)n(C3CC3)c(=O)c2)C1
InChIInChI=1S/C19H21ClN2O4S/c1-12-8-15(9-19(23)22(12)14-6-7-14)26-16-10-21(11-16)27(24,25)18-5-3-4-17(20)13(18)2/h3-5,8-9,14,16H,6-7,10-11H2,1-2H3
InChIKeyMRQWLBLHTMBSBK-UHFFFAOYSA-N
XLogP2.91
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 86265559
CID 86265559
CID 91814925
CID 91814925
CID 86265560
CID 86265560
CID 86265570
CID 86265570
CID 91814933
CID 91814933
CID 121155900
CID 121155900
CID 121155901
CID 121155901
CID 121156124
CID 121156124
CID 121156141
CID 121156141
CID 121156153
CID 121156153
CID 121156183
CID 121156183
CID 121156185
CID 121156185

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one?
The IUPAC name of 4-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one (CID 91814931) is 4-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one.
What is the SMILES notation for 4-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one?
The canonical SMILES for 4-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one is Cc1c(Cl)cccc1S(=O)(=O)N1CC(Oc2cc(C)n(C3CC3)c(=O)c2)C1.
What is the InChIKey of 4-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one?
The InChIKey is MRQWLBLHTMBSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4S/c1-12-8-15(9-19(23)22(12)14-6-7-14)26-16-10-21(11-16)27(24,25)18-5-3-4-17(20)13(18)2/h3-5,8-9,14,16H,6-7,10-11H2,1-2H3.
What are the key properties of 4-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one?
4-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one has a molecular weight of 408.91 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one is sourced from PubChem (CID 91814931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).