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

C18H16ClNO5S2 — CID 167344308

IUPAC4-(4-chlorophenyl)sulfonyl-5-ethylsulfonyl-2-(4-methylphenyl)-1,3-oxazole
SMILESCCS(=O)(=O)c1oc(-c2ccc(C)cc2)nc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClNO5S2/c1-3-26(21,22)18-17(27(23,24)15-10-8-14(19)9-11-15)20-16(25-18)13-6-4-12(2)5-7-13/h4-11H,3H2,1-2H3
InChIKeyXGWKNUDIBWWDLS-UHFFFAOYSA-N
MW425.92 g/mol
LogP3.93
Rot. Bonds5

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

4-(4-chlorophenyl)sulfonyl-5-ethylsulfonyl-2-(4-methylphenyl)-1,3-oxazole (PubChem CID 167344308) has the molecular formula C18H16ClNO5S2 and a molecular weight of 425.92 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-5-ethylsulfonyl-2-(4-methylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-5-ethylsulfonyl-2-(4-methylphenyl)-1,3-oxazole
PubChem CID167344308
Molecular FormulaC18H16ClNO5S2
Molecular Weight425.92 g/mol
Exact Mass425.02
IUPAC Name4-(4-chlorophenyl)sulfonyl-5-ethylsulfonyl-2-(4-methylphenyl)-1,3-oxazole
SMILESCCS(=O)(=O)c1oc(-c2ccc(C)cc2)nc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClNO5S2/c1-3-26(21,22)18-17(27(23,24)15-10-8-14(19)9-11-15)20-16(25-18)13-6-4-12(2)5-7-13/h4-11H,3H2,1-2H3
InChIKeyXGWKNUDIBWWDLS-UHFFFAOYSA-N
XLogP3.93
TPSA94.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-5-ethylsulfonyl-2-(4-methylphenyl)-1,3-oxazole?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-5-ethylsulfonyl-2-(4-methylphenyl)-1,3-oxazole (CID 167344308) is 4-(4-chlorophenyl)sulfonyl-5-ethylsulfonyl-2-(4-methylphenyl)-1,3-oxazole.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-5-ethylsulfonyl-2-(4-methylphenyl)-1,3-oxazole?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-5-ethylsulfonyl-2-(4-methylphenyl)-1,3-oxazole is CCS(=O)(=O)c1oc(-c2ccc(C)cc2)nc1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-5-ethylsulfonyl-2-(4-methylphenyl)-1,3-oxazole?
The InChIKey is XGWKNUDIBWWDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO5S2/c1-3-26(21,22)18-17(27(23,24)15-10-8-14(19)9-11-15)20-16(25-18)13-6-4-12(2)5-7-13/h4-11H,3H2,1-2H3.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-5-ethylsulfonyl-2-(4-methylphenyl)-1,3-oxazole?
4-(4-chlorophenyl)sulfonyl-5-ethylsulfonyl-2-(4-methylphenyl)-1,3-oxazole has a molecular weight of 425.92 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-5-ethylsulfonyl-2-(4-methylphenyl)-1,3-oxazole is sourced from PubChem (CID 167344308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).