(4R)-1-(2-nitrophenyl)sulfonyl-4-(4-phenylphenyl)azetidin-2-one

C21H16N2O5S — CID 16725127

IUPAC(4R)-1-(2-nitrophenyl)sulfonyl-4-(4-phenylphenyl)azetidin-2-one
SMILESO=C1C[C@H](c2ccc(-c3ccccc3)cc2)N1S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C21H16N2O5S/c24-21-14-19(17-12-10-16(11-13-17)15-6-2-1-3-7-15)22(21)29(27,28)20-9-5-4-8-18(20)23(25)26/h1-13,19H,14H2/t19-/m1/s1
InChIKeyCCXXYASQYRRJQJ-LJQANCHMSA-N
MW408.44 g/mol
LogP3.92
Rot. Bonds5

About (4R)-1-(2-nitrophenyl)sulfonyl-4-(4-phenylphenyl)azetidin-2-one

(4R)-1-(2-nitrophenyl)sulfonyl-4-(4-phenylphenyl)azetidin-2-one (PubChem CID 16725127) has the molecular formula C21H16N2O5S and a molecular weight of 408.44 g/mol. Its IUPAC name is (4R)-1-(2-nitrophenyl)sulfonyl-4-(4-phenylphenyl)azetidin-2-one.

Molecular Properties

Compound Name(4R)-1-(2-nitrophenyl)sulfonyl-4-(4-phenylphenyl)azetidin-2-one
PubChem CID16725127
Molecular FormulaC21H16N2O5S
Molecular Weight408.44 g/mol
Exact Mass408.08
IUPAC Name(4R)-1-(2-nitrophenyl)sulfonyl-4-(4-phenylphenyl)azetidin-2-one
SMILESO=C1C[C@H](c2ccc(-c3ccccc3)cc2)N1S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C21H16N2O5S/c24-21-14-19(17-12-10-16(11-13-17)15-6-2-1-3-7-15)22(21)29(27,28)20-9-5-4-8-18(20)23(25)26/h1-13,19H,14H2/t19-/m1/s1
InChIKeyCCXXYASQYRRJQJ-LJQANCHMSA-N
XLogP3.92
TPSA97.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 51856140
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CID 26545104
4-(2-nitrophenyl)sulfonylmorpholine
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4-methylsulfonyl-1-(2-nitrophenyl)sulfonylpiperidine
CID 90585229
2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylphenyl)acetamide
CID 2655902
1-(4-chlorophenyl)sulfonyl-4-(2-nitrophenyl)sulfonylpiperazine
CID 1342939
1-(2-nitrophenyl)sulfonyl-1,5-diazocane
CID 121014557
1-nitro-2-(2-nitrophenyl)sulfonylsulfonylbenzene
CID 54533031
3-(4-fluorophenyl)-1-(2-nitrophenyl)sulfonylazepane
CID 90608906

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(2-nitrophenyl)sulfonyl-4-(4-phenylphenyl)azetidin-2-one?
The IUPAC name of (4R)-1-(2-nitrophenyl)sulfonyl-4-(4-phenylphenyl)azetidin-2-one (CID 16725127) is (4R)-1-(2-nitrophenyl)sulfonyl-4-(4-phenylphenyl)azetidin-2-one.
What is the SMILES notation for (4R)-1-(2-nitrophenyl)sulfonyl-4-(4-phenylphenyl)azetidin-2-one?
The canonical SMILES for (4R)-1-(2-nitrophenyl)sulfonyl-4-(4-phenylphenyl)azetidin-2-one is O=C1C[C@H](c2ccc(-c3ccccc3)cc2)N1S(=O)(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of (4R)-1-(2-nitrophenyl)sulfonyl-4-(4-phenylphenyl)azetidin-2-one?
The InChIKey is CCXXYASQYRRJQJ-LJQANCHMSA-N. The full InChI is InChI=1S/C21H16N2O5S/c24-21-14-19(17-12-10-16(11-13-17)15-6-2-1-3-7-15)22(21)29(27,28)20-9-5-4-8-18(20)23(25)26/h1-13,19H,14H2/t19-/m1/s1.
What are the key properties of (4R)-1-(2-nitrophenyl)sulfonyl-4-(4-phenylphenyl)azetidin-2-one?
(4R)-1-(2-nitrophenyl)sulfonyl-4-(4-phenylphenyl)azetidin-2-one has a molecular weight of 408.44 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(2-nitrophenyl)sulfonyl-4-(4-phenylphenyl)azetidin-2-one is sourced from PubChem (CID 16725127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).