[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone

C19H16Cl2N4O4S — CID 112844718

IUPAC[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(-c2ccncc2)on1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C19H16Cl2N4O4S/c20-14-1-2-15(21)18(11-14)30(27,28)25-9-7-24(8-10-25)19(26)16-12-17(29-23-16)13-3-5-22-6-4-13/h1-6,11-12H,7-10H2
InChIKeyBKZQAARTBHNQPJ-UHFFFAOYSA-N
MW467.33 g/mol
LogP3.19
Rot. Bonds4

About [4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone

[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone (PubChem CID 112844718) has the molecular formula C19H16Cl2N4O4S and a molecular weight of 467.33 g/mol. Its IUPAC name is [4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
PubChem CID112844718
Molecular FormulaC19H16Cl2N4O4S
Molecular Weight467.33 g/mol
Exact Mass466.03
IUPAC Name[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(-c2ccncc2)on1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C19H16Cl2N4O4S/c20-14-1-2-15(21)18(11-14)30(27,28)25-9-7-24(8-10-25)19(26)16-12-17(29-23-16)13-3-5-22-6-4-13/h1-6,11-12H,7-10H2
InChIKeyBKZQAARTBHNQPJ-UHFFFAOYSA-N
XLogP3.19
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.33
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
CID 9496675
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 112773721
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 38169111
2-(4-chlorophenyl)-1-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone
CID 112845684
(4-benzylsulfonylpiperazin-1-yl)-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
CID 112844842
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 15997087
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 38170782
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 26204353
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 95754562
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone
CID 56511219
(4-chloro-2-pyridinyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 16560830
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
CID 24665275

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone (CID 112844718) is [4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone is O=C(c1cc(-c2ccncc2)on1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of [4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone?
The InChIKey is BKZQAARTBHNQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O4S/c20-14-1-2-15(21)18(11-14)30(27,28)25-9-7-24(8-10-25)19(26)16-12-17(29-23-16)13-3-5-22-6-4-13/h1-6,11-12H,7-10H2.
What are the key properties of [4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone?
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 467.33 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 112844718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).