(3R,4S)-4-(4-fluorophenyl)-3-(2-fluorophenyl)sulfonyl-3-methyl-1-(4-methylphenyl)azetidin-2-one

C23H19F2NO3S — CID 155937042

IUPAC(3R,4S)-4-(4-fluorophenyl)-3-(2-fluorophenyl)sulfonyl-3-methyl-1-(4-methylphenyl)azetidin-2-one
SMILESCc1ccc(N2C(=O)[C@](C)(S(=O)(=O)c3ccccc3F)[C@@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C23H19F2NO3S/c1-15-7-13-18(14-8-15)26-21(16-9-11-17(24)12-10-16)23(2,22(26)27)30(28,29)20-6-4-3-5-19(20)25/h3-14,21H,1-2H3/t21-,23+/m0/s1
InChIKeyVPVZHFQUOVKOTG-JTHBVZDNSA-N
MW427.47 g/mol
LogP4.59
Rot. Bonds4

About (3R,4S)-4-(4-fluorophenyl)-3-(2-fluorophenyl)sulfonyl-3-methyl-1-(4-methylphenyl)azetidin-2-one

(3R,4S)-4-(4-fluorophenyl)-3-(2-fluorophenyl)sulfonyl-3-methyl-1-(4-methylphenyl)azetidin-2-one (PubChem CID 155937042) has the molecular formula C23H19F2NO3S and a molecular weight of 427.47 g/mol. Its IUPAC name is (3R,4S)-4-(4-fluorophenyl)-3-(2-fluorophenyl)sulfonyl-3-methyl-1-(4-methylphenyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-4-(4-fluorophenyl)-3-(2-fluorophenyl)sulfonyl-3-methyl-1-(4-methylphenyl)azetidin-2-one
PubChem CID155937042
Molecular FormulaC23H19F2NO3S
Molecular Weight427.47 g/mol
Exact Mass427.11
IUPAC Name(3R,4S)-4-(4-fluorophenyl)-3-(2-fluorophenyl)sulfonyl-3-methyl-1-(4-methylphenyl)azetidin-2-one
SMILESCc1ccc(N2C(=O)[C@](C)(S(=O)(=O)c3ccccc3F)[C@@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C23H19F2NO3S/c1-15-7-13-18(14-8-15)26-21(16-9-11-17(24)12-10-16)23(2,22(26)27)30(28,29)20-6-4-3-5-19(20)25/h3-14,21H,1-2H3/t21-,23+/m0/s1
InChIKeyVPVZHFQUOVKOTG-JTHBVZDNSA-N
XLogP4.59
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(4-fluorophenyl)-3-(2-fluorophenyl)sulfonyl-3-methyl-1-(4-methylphenyl)azetidin-2-one?
The IUPAC name of (3R,4S)-4-(4-fluorophenyl)-3-(2-fluorophenyl)sulfonyl-3-methyl-1-(4-methylphenyl)azetidin-2-one (CID 155937042) is (3R,4S)-4-(4-fluorophenyl)-3-(2-fluorophenyl)sulfonyl-3-methyl-1-(4-methylphenyl)azetidin-2-one.
What is the SMILES notation for (3R,4S)-4-(4-fluorophenyl)-3-(2-fluorophenyl)sulfonyl-3-methyl-1-(4-methylphenyl)azetidin-2-one?
The canonical SMILES for (3R,4S)-4-(4-fluorophenyl)-3-(2-fluorophenyl)sulfonyl-3-methyl-1-(4-methylphenyl)azetidin-2-one is Cc1ccc(N2C(=O)[C@](C)(S(=O)(=O)c3ccccc3F)[C@@H]2c2ccc(F)cc2)cc1.
What is the InChIKey of (3R,4S)-4-(4-fluorophenyl)-3-(2-fluorophenyl)sulfonyl-3-methyl-1-(4-methylphenyl)azetidin-2-one?
The InChIKey is VPVZHFQUOVKOTG-JTHBVZDNSA-N. The full InChI is InChI=1S/C23H19F2NO3S/c1-15-7-13-18(14-8-15)26-21(16-9-11-17(24)12-10-16)23(2,22(26)27)30(28,29)20-6-4-3-5-19(20)25/h3-14,21H,1-2H3/t21-,23+/m0/s1.
What are the key properties of (3R,4S)-4-(4-fluorophenyl)-3-(2-fluorophenyl)sulfonyl-3-methyl-1-(4-methylphenyl)azetidin-2-one?
(3R,4S)-4-(4-fluorophenyl)-3-(2-fluorophenyl)sulfonyl-3-methyl-1-(4-methylphenyl)azetidin-2-one has a molecular weight of 427.47 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(4-fluorophenyl)-3-(2-fluorophenyl)sulfonyl-3-methyl-1-(4-methylphenyl)azetidin-2-one is sourced from PubChem (CID 155937042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).