5,5-bis(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-1,2-oxazole

C28H21Cl2NO3S — CID 102308221

IUPAC5,5-bis(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-1,2-oxazole
SMILESCc1ccc(S(=O)(=O)N2OC(c3ccc(Cl)cc3)(c3ccc(Cl)cc3)C=C2c2ccccc2)cc1
InChIInChI=1S/C28H21Cl2NO3S/c1-20-7-17-26(18-8-20)35(32,33)31-27(21-5-3-2-4-6-21)19-28(34-31,22-9-13-24(29)14-10-22)23-11-15-25(30)16-12-23/h2-19H,1H3
InChIKeyAXANBNNFDOTNIW-UHFFFAOYSA-N
MW522.45 g/mol
LogP7.22
Rot. Bonds5

About 5,5-bis(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-1,2-oxazole

5,5-bis(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-1,2-oxazole (PubChem CID 102308221) has the molecular formula C28H21Cl2NO3S and a molecular weight of 522.45 g/mol. Its IUPAC name is 5,5-bis(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name5,5-bis(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-1,2-oxazole
PubChem CID102308221
Molecular FormulaC28H21Cl2NO3S
Molecular Weight522.45 g/mol
Exact Mass521.06
IUPAC Name5,5-bis(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-1,2-oxazole
SMILESCc1ccc(S(=O)(=O)N2OC(c3ccc(Cl)cc3)(c3ccc(Cl)cc3)C=C2c2ccccc2)cc1
InChIInChI=1S/C28H21Cl2NO3S/c1-20-7-17-26(18-8-20)35(32,33)31-27(21-5-3-2-4-6-21)19-28(34-31,22-9-13-24(29)14-10-22)23-11-15-25(30)16-12-23/h2-19H,1H3
InChIKeyAXANBNNFDOTNIW-UHFFFAOYSA-N
XLogP7.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.45
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-bis(4-chlorophenyl)-6,7-dimethoxy-1-(4-methylphenyl)sulfonyl-4-phenylquinoline
CID 132602625
5-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole
CID 11841107
3-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydropyridin-6-one
CID 155907261
3-(4-fluorophenyl)-4-iodo-2-(4-methylphenyl)sulfonyl-5,5-diphenyl-1,2-oxazole
CID 102308227
(4-chlorophenyl)-[3-(4-methylphenyl)sulfonyl-2-phenylimidazol-4-yl]methanol
CID 171986052
1-methyl-4-(4-phenylphenyl)sulfonylbenzene
CID 2801718
3,6,9-tris-(4-methylphenyl)sulfonyl-3,6,9-triazatetracyclo[6.1.0.02,4.05,7]nonane
CID 12599628
1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene
CID 58526721
2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-4,6-diphenyl-4H-pyrimidine
CID 102126195
5-methyl-1-(4-methylphenyl)sulfonyl-6-phenyl-2H-pyridine
CID 102581556
(3R)-3-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyloxaziridine
CID 12598044
3-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
CID 86224949

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-1,2-oxazole?
The IUPAC name of 5,5-bis(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-1,2-oxazole (CID 102308221) is 5,5-bis(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-1,2-oxazole.
What is the SMILES notation for 5,5-bis(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-1,2-oxazole?
The canonical SMILES for 5,5-bis(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-1,2-oxazole is Cc1ccc(S(=O)(=O)N2OC(c3ccc(Cl)cc3)(c3ccc(Cl)cc3)C=C2c2ccccc2)cc1.
What is the InChIKey of 5,5-bis(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-1,2-oxazole?
The InChIKey is AXANBNNFDOTNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21Cl2NO3S/c1-20-7-17-26(18-8-20)35(32,33)31-27(21-5-3-2-4-6-21)19-28(34-31,22-9-13-24(29)14-10-22)23-11-15-25(30)16-12-23/h2-19H,1H3.
What are the key properties of 5,5-bis(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-1,2-oxazole?
5,5-bis(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-1,2-oxazole has a molecular weight of 522.45 g/mol, XLogP of 7.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-1,2-oxazole is sourced from PubChem (CID 102308221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).