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

C17H14ClNO5S2 — CID 167344246

IUPAC4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)-5-methylsulfonyl-1,3-oxazole
SMILESCc1ccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(S(C)(=O)=O)o2)cc1
InChIInChI=1S/C17H14ClNO5S2/c1-11-3-5-12(6-4-11)15-19-16(17(24-15)25(2,20)21)26(22,23)14-9-7-13(18)8-10-14/h3-10H,1-2H3
InChIKeyGCIOHQRMLZOKDQ-UHFFFAOYSA-N
MW411.89 g/mol
LogP3.54
Rot. Bonds4

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

4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)-5-methylsulfonyl-1,3-oxazole (PubChem CID 167344246) has the molecular formula C17H14ClNO5S2 and a molecular weight of 411.89 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)-5-methylsulfonyl-1,3-oxazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)-5-methylsulfonyl-1,3-oxazole
PubChem CID167344246
Molecular FormulaC17H14ClNO5S2
Molecular Weight411.89 g/mol
Exact Mass411.00
IUPAC Name4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)-5-methylsulfonyl-1,3-oxazole
SMILESCc1ccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(S(C)(=O)=O)o2)cc1
InChIInChI=1S/C17H14ClNO5S2/c1-11-3-5-12(6-4-11)15-19-16(17(24-15)25(2,20)21)26(22,23)14-9-7-13(18)8-10-14/h3-10H,1-2H3
InChIKeyGCIOHQRMLZOKDQ-UHFFFAOYSA-N
XLogP3.54
TPSA94.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 53.54
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-2-(4-methylphenyl)-5-methylsulfonyl-1,3-oxazole?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)-5-methylsulfonyl-1,3-oxazole (CID 167344246) is 4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)-5-methylsulfonyl-1,3-oxazole.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)-5-methylsulfonyl-1,3-oxazole?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)-5-methylsulfonyl-1,3-oxazole is Cc1ccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(S(C)(=O)=O)o2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)-5-methylsulfonyl-1,3-oxazole?
The InChIKey is GCIOHQRMLZOKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO5S2/c1-11-3-5-12(6-4-11)15-19-16(17(24-15)25(2,20)21)26(22,23)14-9-7-13(18)8-10-14/h3-10H,1-2H3.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)-5-methylsulfonyl-1,3-oxazole?
4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)-5-methylsulfonyl-1,3-oxazole has a molecular weight of 411.89 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)-5-methylsulfonyl-1,3-oxazole is sourced from PubChem (CID 167344246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).