3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole

C14H15Cl2N3O3S — CID 110645928

IUPAC3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole
SMILESCc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)no1
InChIInChI=1S/C14H15Cl2N3O3S/c1-10-8-14(17-22-10)18-4-6-19(7-5-18)23(20,21)11-2-3-12(15)13(16)9-11/h2-3,8-9H,4-7H2,1H3
InChIKeyZIFVINYXFXYQDE-UHFFFAOYSA-N
MW376.27 g/mol
LogP2.80
Rot. Bonds3

About 3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole

3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole (PubChem CID 110645928) has the molecular formula C14H15Cl2N3O3S and a molecular weight of 376.27 g/mol. Its IUPAC name is 3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole
PubChem CID110645928
Molecular FormulaC14H15Cl2N3O3S
Molecular Weight376.27 g/mol
Exact Mass375.02
IUPAC Name3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole
SMILESCc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)no1
InChIInChI=1S/C14H15Cl2N3O3S/c1-10-8-14(17-22-10)18-4-6-19(7-5-18)23(20,21)11-2-3-12(15)13(16)9-11/h2-3,8-9H,4-7H2,1H3
InChIKeyZIFVINYXFXYQDE-UHFFFAOYSA-N
XLogP2.80
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.27
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole
CID 110422436
3-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole
CID 110645929
1-[6-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]azepane
CID 26843190
1-(4-chlorophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine
CID 3708259
3-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 122341388
4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methoxyphenyl)pyrimidine
CID 90517144
3-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 27635164
[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 26261127
1-(3,4-dichlorophenyl)sulfonyl-4-methyl-1,4-diazepane chloride
CID 53350706
1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)piperazine
CID 113079298
1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine
CID 55352199
4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propan-2-yloxypyrimidine
CID 42474150

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole (CID 110645928) is 3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole is Cc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)no1.
What is the InChIKey of 3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole?
The InChIKey is ZIFVINYXFXYQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O3S/c1-10-8-14(17-22-10)18-4-6-19(7-5-18)23(20,21)11-2-3-12(15)13(16)9-11/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole?
3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole has a molecular weight of 376.27 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 110645928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).