(2R,5S)-2-(2,4-dichlorophenyl)-3-(4-nitrophenyl)sulfonyl-5-[(E)-2-phenylethenyl]-1,3-oxazolidine

C23H18Cl2N2O5S — CID 66552319

IUPAC(2R,5S)-2-(2,4-dichlorophenyl)-3-(4-nitrophenyl)sulfonyl-5-[(E)-2-phenylethenyl]-1,3-oxazolidine
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H](/C=C/c3ccccc3)O[C@@H]2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C23H18Cl2N2O5S/c24-17-7-13-21(22(25)14-17)23-26(15-19(32-23)10-6-16-4-2-1-3-5-16)33(30,31)20-11-8-18(9-12-20)27(28)29/h1-14,19,23H,15H2/b10-6+/t19-,23+/m0/s1
InChIKeyLMRCGYGFFSTUKE-CNOUNZLZSA-N
MW505.38 g/mol
LogP5.70
Rot. Bonds6

About (2R,5S)-2-(2,4-dichlorophenyl)-3-(4-nitrophenyl)sulfonyl-5-[(E)-2-phenylethenyl]-1,3-oxazolidine

(2R,5S)-2-(2,4-dichlorophenyl)-3-(4-nitrophenyl)sulfonyl-5-[(E)-2-phenylethenyl]-1,3-oxazolidine (PubChem CID 66552319) has the molecular formula C23H18Cl2N2O5S and a molecular weight of 505.38 g/mol. Its IUPAC name is (2R,5S)-2-(2,4-dichlorophenyl)-3-(4-nitrophenyl)sulfonyl-5-[(E)-2-phenylethenyl]-1,3-oxazolidine.

Molecular Properties

Compound Name(2R,5S)-2-(2,4-dichlorophenyl)-3-(4-nitrophenyl)sulfonyl-5-[(E)-2-phenylethenyl]-1,3-oxazolidine
PubChem CID66552319
Molecular FormulaC23H18Cl2N2O5S
Molecular Weight505.38 g/mol
Exact Mass504.03
IUPAC Name(2R,5S)-2-(2,4-dichlorophenyl)-3-(4-nitrophenyl)sulfonyl-5-[(E)-2-phenylethenyl]-1,3-oxazolidine
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H](/C=C/c3ccccc3)O[C@@H]2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C23H18Cl2N2O5S/c24-17-7-13-21(22(25)14-17)23-26(15-19(32-23)10-6-16-4-2-1-3-5-16)33(30,31)20-11-8-18(9-12-20)27(28)29/h1-14,19,23H,15H2/b10-6+/t19-,23+/m0/s1
InChIKeyLMRCGYGFFSTUKE-CNOUNZLZSA-N
XLogP5.70
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.38
LogP ≤ 55.70
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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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-(2,4-dichlorophenyl)-3-(4-nitrophenyl)sulfonyl-5-[(E)-2-phenylethenyl]-1,3-oxazolidine?
The IUPAC name of (2R,5S)-2-(2,4-dichlorophenyl)-3-(4-nitrophenyl)sulfonyl-5-[(E)-2-phenylethenyl]-1,3-oxazolidine (CID 66552319) is (2R,5S)-2-(2,4-dichlorophenyl)-3-(4-nitrophenyl)sulfonyl-5-[(E)-2-phenylethenyl]-1,3-oxazolidine.
What is the SMILES notation for (2R,5S)-2-(2,4-dichlorophenyl)-3-(4-nitrophenyl)sulfonyl-5-[(E)-2-phenylethenyl]-1,3-oxazolidine?
The canonical SMILES for (2R,5S)-2-(2,4-dichlorophenyl)-3-(4-nitrophenyl)sulfonyl-5-[(E)-2-phenylethenyl]-1,3-oxazolidine is O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H](/C=C/c3ccccc3)O[C@@H]2c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of (2R,5S)-2-(2,4-dichlorophenyl)-3-(4-nitrophenyl)sulfonyl-5-[(E)-2-phenylethenyl]-1,3-oxazolidine?
The InChIKey is LMRCGYGFFSTUKE-CNOUNZLZSA-N. The full InChI is InChI=1S/C23H18Cl2N2O5S/c24-17-7-13-21(22(25)14-17)23-26(15-19(32-23)10-6-16-4-2-1-3-5-16)33(30,31)20-11-8-18(9-12-20)27(28)29/h1-14,19,23H,15H2/b10-6+/t19-,23+/m0/s1.
What are the key properties of (2R,5S)-2-(2,4-dichlorophenyl)-3-(4-nitrophenyl)sulfonyl-5-[(E)-2-phenylethenyl]-1,3-oxazolidine?
(2R,5S)-2-(2,4-dichlorophenyl)-3-(4-nitrophenyl)sulfonyl-5-[(E)-2-phenylethenyl]-1,3-oxazolidine has a molecular weight of 505.38 g/mol, XLogP of 5.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-(2,4-dichlorophenyl)-3-(4-nitrophenyl)sulfonyl-5-[(E)-2-phenylethenyl]-1,3-oxazolidine is sourced from PubChem (CID 66552319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).