5-(3-chlorophenyl)-2-(4-nitrophenyl)sulfonyl-3-phenyl-1,2-oxazolidine

C21H17ClN2O5S — CID 134997816

IUPAC5-(3-chlorophenyl)-2-(4-nitrophenyl)sulfonyl-3-phenyl-1,2-oxazolidine
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N2OC(c3cccc(Cl)c3)CC2c2ccccc2)cc1
InChIInChI=1S/C21H17ClN2O5S/c22-17-8-4-7-16(13-17)21-14-20(15-5-2-1-3-6-15)24(29-21)30(27,28)19-11-9-18(10-12-19)23(25)26/h1-13,20-21H,14H2
InChIKeyKTOZRDZTHRJUDY-UHFFFAOYSA-N
MW444.90 g/mol
LogP5.06
Rot. Bonds5

About 5-(3-chlorophenyl)-2-(4-nitrophenyl)sulfonyl-3-phenyl-1,2-oxazolidine

5-(3-chlorophenyl)-2-(4-nitrophenyl)sulfonyl-3-phenyl-1,2-oxazolidine (PubChem CID 134997816) has the molecular formula C21H17ClN2O5S and a molecular weight of 444.90 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-2-(4-nitrophenyl)sulfonyl-3-phenyl-1,2-oxazolidine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-2-(4-nitrophenyl)sulfonyl-3-phenyl-1,2-oxazolidine
PubChem CID134997816
Molecular FormulaC21H17ClN2O5S
Molecular Weight444.90 g/mol
Exact Mass444.05
IUPAC Name5-(3-chlorophenyl)-2-(4-nitrophenyl)sulfonyl-3-phenyl-1,2-oxazolidine
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N2OC(c3cccc(Cl)c3)CC2c2ccccc2)cc1
InChIInChI=1S/C21H17ClN2O5S/c22-17-8-4-7-16(13-17)21-14-20(15-5-2-1-3-6-15)24(29-21)30(27,28)19-11-9-18(10-12-19)23(25)26/h1-13,20-21H,14H2
InChIKeyKTOZRDZTHRJUDY-UHFFFAOYSA-N
XLogP5.06
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.90
LogP ≤ 55.06
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'}

Analyze 5-(3-chlorophenyl)-2-(4-nitrophenyl)sulfonyl-3-phenyl-1,2-oxazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-(4-nitrophenyl)sulfonyl-2-phenylaziridine
CID 11150856
(2S,6S)-6-(3-chlorophenyl)-2-(4-methylphenyl)-1-(4-nitrophenyl)sulfonyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 16656253
methyl 3-[(3R,5S)-2-(4-nitrophenyl)sulfonyl-5-phenyl-1,2-oxazolidin-3-yl]propanoate
CID 45103252
(2R,3S)-3-bromo-2-(3-chlorophenyl)-1-(4-nitrophenyl)sulfonylpiperidine
CID 135058790
5-amino-3-(3-chlorophenyl)-1-(4-nitrophenyl)sulfonyl-2,3-dihydropyrrole-4-carbonitrile
CID 71613858
(5S,10S)-10-(3-chlorophenyl)-7-(4-nitrophenyl)sulfonyl-7-azaspiro[4.5]decane-4,6,8-trione
CID 102335489
1-[(3-chlorophenyl)methyl]-4-(4-nitrophenyl)sulfonylpiperazine
CID 1343020
(2R)-1-(4-nitrophenyl)sulfonyl-2-phenyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 146469234
2-(4-nitrophenyl)sulfonyl-3-(2-phenylethynyl)oxaziridine
CID 24827345
(2S,6S)-2-methyl-4-(4-nitrophenyl)sulfonyl-6-phenylmorpholine
CID 95220723
4-(3-chlorophenyl)-2-hydroxy-2-(4-nitrophenoxy)-1,3,2-dioxaphosphinan-2-ium
CID 173041106
2-(3-chlorophenyl)-5-cyclopropyl-3-(4-nitrophenyl)-3,4-dihydropyrazole
CID 118095323

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-2-(4-nitrophenyl)sulfonyl-3-phenyl-1,2-oxazolidine?
The IUPAC name of 5-(3-chlorophenyl)-2-(4-nitrophenyl)sulfonyl-3-phenyl-1,2-oxazolidine (CID 134997816) is 5-(3-chlorophenyl)-2-(4-nitrophenyl)sulfonyl-3-phenyl-1,2-oxazolidine.
What is the SMILES notation for 5-(3-chlorophenyl)-2-(4-nitrophenyl)sulfonyl-3-phenyl-1,2-oxazolidine?
The canonical SMILES for 5-(3-chlorophenyl)-2-(4-nitrophenyl)sulfonyl-3-phenyl-1,2-oxazolidine is O=[N+]([O-])c1ccc(S(=O)(=O)N2OC(c3cccc(Cl)c3)CC2c2ccccc2)cc1.
What is the InChIKey of 5-(3-chlorophenyl)-2-(4-nitrophenyl)sulfonyl-3-phenyl-1,2-oxazolidine?
The InChIKey is KTOZRDZTHRJUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O5S/c22-17-8-4-7-16(13-17)21-14-20(15-5-2-1-3-6-15)24(29-21)30(27,28)19-11-9-18(10-12-19)23(25)26/h1-13,20-21H,14H2.
What are the key properties of 5-(3-chlorophenyl)-2-(4-nitrophenyl)sulfonyl-3-phenyl-1,2-oxazolidine?
5-(3-chlorophenyl)-2-(4-nitrophenyl)sulfonyl-3-phenyl-1,2-oxazolidine has a molecular weight of 444.90 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-2-(4-nitrophenyl)sulfonyl-3-phenyl-1,2-oxazolidine is sourced from PubChem (CID 134997816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).