3-chloro-N-[2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide

C20H21ClFN3O5S — CID 121155900

IUPAC3-chloro-N-[2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide
SMILESCc1cc(OC2CN(C(=O)CNS(=O)(=O)c3ccc(F)c(Cl)c3)C2)cc(=O)n1C1CC1
InChIInChI=1S/C20H21ClFN3O5S/c1-12-6-14(7-19(26)25(12)13-2-3-13)30-15-10-24(11-15)20(27)9-23-31(28,29)16-4-5-18(22)17(21)8-16/h4-8,13,15,23H,2-3,9-11H2,1H3
InChIKeyPFUUXLZZWWNVKP-UHFFFAOYSA-N
MW469.92 g/mol
LogP1.85
Rot. Bonds7

About 3-chloro-N-[2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide

3-chloro-N-[2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide (PubChem CID 121155900) has the molecular formula C20H21ClFN3O5S and a molecular weight of 469.92 g/mol. Its IUPAC name is 3-chloro-N-[2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide
PubChem CID121155900
Molecular FormulaC20H21ClFN3O5S
Molecular Weight469.92 g/mol
Exact Mass469.09
IUPAC Name3-chloro-N-[2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide
SMILESCc1cc(OC2CN(C(=O)CNS(=O)(=O)c3ccc(F)c(Cl)c3)C2)cc(=O)n1C1CC1
InChIInChI=1S/C20H21ClFN3O5S/c1-12-6-14(7-19(26)25(12)13-2-3-13)30-15-10-24(11-15)20(27)9-23-31(28,29)16-4-5-18(22)17(21)8-16/h4-8,13,15,23H,2-3,9-11H2,1H3
InChIKeyPFUUXLZZWWNVKP-UHFFFAOYSA-N
XLogP1.85
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.92
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide (CID 121155900) is 3-chloro-N-[2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide is Cc1cc(OC2CN(C(=O)CNS(=O)(=O)c3ccc(F)c(Cl)c3)C2)cc(=O)n1C1CC1.
What is the InChIKey of 3-chloro-N-[2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide?
The InChIKey is PFUUXLZZWWNVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN3O5S/c1-12-6-14(7-19(26)25(12)13-2-3-13)30-15-10-24(11-15)20(27)9-23-31(28,29)16-4-5-18(22)17(21)8-16/h4-8,13,15,23H,2-3,9-11H2,1H3.
What are the key properties of 3-chloro-N-[2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide?
3-chloro-N-[2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide has a molecular weight of 469.92 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 121155900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).