[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methanone

C20H17ClFN3O4S — CID 46472464

IUPAC[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methanone
SMILESO=C(c1cc(-c2cccc(F)c2)no1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C20H17ClFN3O4S/c21-16-6-1-2-7-19(16)30(27,28)25-10-8-24(9-11-25)20(26)18-13-17(23-29-18)14-4-3-5-15(22)12-14/h1-7,12-13H,8-11H2
InChIKeyYAKFVEZBBIUEOS-UHFFFAOYSA-N
MW449.89 g/mol
LogP3.28
Rot. Bonds4

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

[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methanone (PubChem CID 46472464) has the molecular formula C20H17ClFN3O4S and a molecular weight of 449.89 g/mol. Its IUPAC name is [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methanone
PubChem CID46472464
Molecular FormulaC20H17ClFN3O4S
Molecular Weight449.89 g/mol
Exact Mass449.06
IUPAC Name[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methanone
SMILESO=C(c1cc(-c2cccc(F)c2)no1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C20H17ClFN3O4S/c21-16-6-1-2-7-19(16)30(27,28)25-10-8-24(9-11-25)20(26)18-13-17(23-29-18)14-4-3-5-15(22)12-14/h1-7,12-13H,8-11H2
InChIKeyYAKFVEZBBIUEOS-UHFFFAOYSA-N
XLogP3.28
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.89
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methanone with MolForge

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Related Compounds

[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
CID 46471000
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 55646198
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-fluorophenyl)methanone
CID 9239681
(3S)-1-[3-(3-fluorophenyl)-1,2-oxazole-5-carbonyl]pyrrolidine-3-carboxamide
CID 94512779
[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 27757740
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 38408302
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone
CID 26757131
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 43069159
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 51211814
[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 38488057
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 55646296
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(5-fluoro-3-methyl-1-benzothiophen-2-yl)methanone
CID 55996687

Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methanone?
The IUPAC name of [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methanone (CID 46472464) is [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methanone.
What is the SMILES notation for [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methanone?
The canonical SMILES for [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methanone is O=C(c1cc(-c2cccc(F)c2)no1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1.
What is the InChIKey of [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methanone?
The InChIKey is YAKFVEZBBIUEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O4S/c21-16-6-1-2-7-19(16)30(27,28)25-10-8-24(9-11-25)20(26)18-13-17(23-29-18)14-4-3-5-15(22)12-14/h1-7,12-13H,8-11H2.
What are the key properties of [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methanone?
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methanone has a molecular weight of 449.89 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 46472464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).