2-[[2-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1,3-oxazol-5-yl]sulfonyl]-1-morpholin-4-ylethanone

C21H18Cl2N2O7S2 — CID 45354905

IUPAC2-[[2-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1,3-oxazol-5-yl]sulfonyl]-1-morpholin-4-ylethanone
SMILESO=C(CS(=O)(=O)c1oc(-c2ccc(Cl)cc2)nc1S(=O)(=O)c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C21H18Cl2N2O7S2/c22-15-3-1-14(2-4-15)19-24-20(34(29,30)17-7-5-16(23)6-8-17)21(32-19)33(27,28)13-18(26)25-9-11-31-12-10-25/h1-8H,9-13H2
InChIKeyHLLFOLAUHJAWMT-UHFFFAOYSA-N
MW545.42 g/mol
LogP3.11
Rot. Bonds6

About 2-[[2-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1,3-oxazol-5-yl]sulfonyl]-1-morpholin-4-ylethanone

2-[[2-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1,3-oxazol-5-yl]sulfonyl]-1-morpholin-4-ylethanone (PubChem CID 45354905) has the molecular formula C21H18Cl2N2O7S2 and a molecular weight of 545.42 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1,3-oxazol-5-yl]sulfonyl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1,3-oxazol-5-yl]sulfonyl]-1-morpholin-4-ylethanone
PubChem CID45354905
Molecular FormulaC21H18Cl2N2O7S2
Molecular Weight545.42 g/mol
Exact Mass543.99
IUPAC Name2-[[2-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1,3-oxazol-5-yl]sulfonyl]-1-morpholin-4-ylethanone
SMILESO=C(CS(=O)(=O)c1oc(-c2ccc(Cl)cc2)nc1S(=O)(=O)c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C21H18Cl2N2O7S2/c22-15-3-1-14(2-4-15)19-24-20(34(29,30)17-7-5-16(23)6-8-17)21(32-19)33(27,28)13-18(26)25-9-11-31-12-10-25/h1-8H,9-13H2
InChIKeyHLLFOLAUHJAWMT-UHFFFAOYSA-N
XLogP3.11
TPSA123.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.42
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-(4-chlorophenyl)sulfonyl-5-ethylsulfonyl-2-(4-methylphenyl)-1,3-oxazole
CID 167344308
4-(benzenesulfonyl)-2-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazol-5-amine
CID 3446909
4-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazol-5-amine
CID 18827103
4-[4-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]morpholine
CID 18826217
4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)-5-methylsulfonyl-1,3-oxazole
CID 167344246
1-[4-[4-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-1,3-oxazol-5-yl]piperazin-1-yl]butan-1-one
CID 51045447
4-[4-(4-chlorophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazol-5-yl]morpholine
CID 1206113
4-(4-chlorophenyl)sulfonyl-N-methyl-2-(4-methylphenyl)-1,3-oxazol-5-amine
CID 5098546
2-(4-fluorophenyl)sulfonyl-1-morpholin-4-ylethanone
CID 1486407
5-(azepan-1-yl)-2-(4-chlorophenyl)-4-(4-ethylphenyl)sulfonyl-1,3-oxazole
CID 18890386
2-[[5-chloro-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 1295639
2-(2-amino-4-chlorophenyl)sulfonyl-1-morpholin-4-ylethanone
CID 81175966

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1,3-oxazol-5-yl]sulfonyl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[[2-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1,3-oxazol-5-yl]sulfonyl]-1-morpholin-4-ylethanone (CID 45354905) is 2-[[2-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1,3-oxazol-5-yl]sulfonyl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1,3-oxazol-5-yl]sulfonyl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[[2-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1,3-oxazol-5-yl]sulfonyl]-1-morpholin-4-ylethanone is O=C(CS(=O)(=O)c1oc(-c2ccc(Cl)cc2)nc1S(=O)(=O)c1ccc(Cl)cc1)N1CCOCC1.
What is the InChIKey of 2-[[2-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1,3-oxazol-5-yl]sulfonyl]-1-morpholin-4-ylethanone?
The InChIKey is HLLFOLAUHJAWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O7S2/c22-15-3-1-14(2-4-15)19-24-20(34(29,30)17-7-5-16(23)6-8-17)21(32-19)33(27,28)13-18(26)25-9-11-31-12-10-25/h1-8H,9-13H2.
What are the key properties of 2-[[2-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1,3-oxazol-5-yl]sulfonyl]-1-morpholin-4-ylethanone?
2-[[2-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1,3-oxazol-5-yl]sulfonyl]-1-morpholin-4-ylethanone has a molecular weight of 545.42 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1,3-oxazol-5-yl]sulfonyl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 45354905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).