2-(3-chlorophenyl)-6-[[2-(3-chlorophenyl)-1,3-benzoxazol-6-yl]sulfonyl]-1,3-benzoxazole

C26H14Cl2N2O4S — CID 141112908

IUPAC2-(3-chlorophenyl)-6-[[2-(3-chlorophenyl)-1,3-benzoxazol-6-yl]sulfonyl]-1,3-benzoxazole
SMILESO=S(=O)(c1ccc2nc(-c3cccc(Cl)c3)oc2c1)c1ccc2nc(-c3cccc(Cl)c3)oc2c1
InChIInChI=1S/C26H14Cl2N2O4S/c27-17-5-1-3-15(11-17)25-29-21-9-7-19(13-23(21)33-25)35(31,32)20-8-10-22-24(14-20)34-26(30-22)16-4-2-6-18(28)12-16/h1-14H
InChIKeyZRICEGYTNWPPIH-UHFFFAOYSA-N
MW521.38 g/mol
LogP7.44
Rot. Bonds4

About 2-(3-chlorophenyl)-6-[[2-(3-chlorophenyl)-1,3-benzoxazol-6-yl]sulfonyl]-1,3-benzoxazole

2-(3-chlorophenyl)-6-[[2-(3-chlorophenyl)-1,3-benzoxazol-6-yl]sulfonyl]-1,3-benzoxazole (PubChem CID 141112908) has the molecular formula C26H14Cl2N2O4S and a molecular weight of 521.38 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-6-[[2-(3-chlorophenyl)-1,3-benzoxazol-6-yl]sulfonyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-(3-chlorophenyl)-6-[[2-(3-chlorophenyl)-1,3-benzoxazol-6-yl]sulfonyl]-1,3-benzoxazole
PubChem CID141112908
Molecular FormulaC26H14Cl2N2O4S
Molecular Weight521.38 g/mol
Exact Mass520.01
IUPAC Name2-(3-chlorophenyl)-6-[[2-(3-chlorophenyl)-1,3-benzoxazol-6-yl]sulfonyl]-1,3-benzoxazole
SMILESO=S(=O)(c1ccc2nc(-c3cccc(Cl)c3)oc2c1)c1ccc2nc(-c3cccc(Cl)c3)oc2c1
InChIInChI=1S/C26H14Cl2N2O4S/c27-17-5-1-3-15(11-17)25-29-21-9-7-19(13-23(21)33-25)35(31,32)20-8-10-22-24(14-20)34-26(30-22)16-4-2-6-18(28)12-16/h1-14H
InChIKeyZRICEGYTNWPPIH-UHFFFAOYSA-N
XLogP7.44
TPSA86.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.38
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-chlorophenyl)-1,3-benzoxazole-6-sulfonyl chloride
CID 82358054
4-[6-(4-chlorophenyl)sulfonyl-1,3-benzoxazol-2-yl]phenol
CID 142716097
2-[3-(3-chlorophenyl)phenyl]-1,3-benzoxazole
CID 166583056
3-(6-chloro-1,3-benzoxazol-2-yl)benzoic acid
CID 81434008
5-chloro-2-(3-chlorophenyl)-1,3-benzoxazol-6-amine
CID 115539701
6-(3-chlorophenyl)-[1,3]dioxolo[4,5-f][1,3]benzoxazole
CID 140533892
N-[[2-(3-chlorophenyl)-1,3-benzoxazol-6-yl]methyl]ethanamine
CID 82357533
2-(3-chlorophenyl)-1,3-benzoxazol-5-amine
CID 721061
2-pyridin-4-yl-1,3-benzoxazole-6-sulfonyl chloride
CID 82358057
methyl 3-[4-[6-(4-chlorophenyl)sulfonyl-1,3-benzoxazol-2-yl]phenyl]propanoate
CID 142715876
2-(3-chlorophenyl)-6-(2,3,4-trimethoxyphenyl)-1,3-benzoxazole
CID 46088966
N-[4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzenesulfonamide
CID 146733141

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-6-[[2-(3-chlorophenyl)-1,3-benzoxazol-6-yl]sulfonyl]-1,3-benzoxazole?
The IUPAC name of 2-(3-chlorophenyl)-6-[[2-(3-chlorophenyl)-1,3-benzoxazol-6-yl]sulfonyl]-1,3-benzoxazole (CID 141112908) is 2-(3-chlorophenyl)-6-[[2-(3-chlorophenyl)-1,3-benzoxazol-6-yl]sulfonyl]-1,3-benzoxazole.
What is the SMILES notation for 2-(3-chlorophenyl)-6-[[2-(3-chlorophenyl)-1,3-benzoxazol-6-yl]sulfonyl]-1,3-benzoxazole?
The canonical SMILES for 2-(3-chlorophenyl)-6-[[2-(3-chlorophenyl)-1,3-benzoxazol-6-yl]sulfonyl]-1,3-benzoxazole is O=S(=O)(c1ccc2nc(-c3cccc(Cl)c3)oc2c1)c1ccc2nc(-c3cccc(Cl)c3)oc2c1.
What is the InChIKey of 2-(3-chlorophenyl)-6-[[2-(3-chlorophenyl)-1,3-benzoxazol-6-yl]sulfonyl]-1,3-benzoxazole?
The InChIKey is ZRICEGYTNWPPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14Cl2N2O4S/c27-17-5-1-3-15(11-17)25-29-21-9-7-19(13-23(21)33-25)35(31,32)20-8-10-22-24(14-20)34-26(30-22)16-4-2-6-18(28)12-16/h1-14H.
What are the key properties of 2-(3-chlorophenyl)-6-[[2-(3-chlorophenyl)-1,3-benzoxazol-6-yl]sulfonyl]-1,3-benzoxazole?
2-(3-chlorophenyl)-6-[[2-(3-chlorophenyl)-1,3-benzoxazol-6-yl]sulfonyl]-1,3-benzoxazole has a molecular weight of 521.38 g/mol, XLogP of 7.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-6-[[2-(3-chlorophenyl)-1,3-benzoxazol-6-yl]sulfonyl]-1,3-benzoxazole is sourced from PubChem (CID 141112908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).