2-[2-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole

C21H23ClN4O4S — CID 110658572

IUPAC2-[2-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCOc1ccc(S(=O)(=O)N2CCN(CCc3nnc(-c4ccccc4)o3)CC2)cc1Cl
InChIInChI=1S/C21H23ClN4O4S/c1-29-19-8-7-17(15-18(19)22)31(27,28)26-13-11-25(12-14-26)10-9-20-23-24-21(30-20)16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3
InChIKeyCZCBGKBDDDWUCB-UHFFFAOYSA-N
MW462.96 g/mol
LogP2.95
Rot. Bonds7

About 2-[2-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole

2-[2-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 110658572) has the molecular formula C21H23ClN4O4S and a molecular weight of 462.96 g/mol. Its IUPAC name is 2-[2-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID110658572
Molecular FormulaC21H23ClN4O4S
Molecular Weight462.96 g/mol
Exact Mass462.11
IUPAC Name2-[2-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCOc1ccc(S(=O)(=O)N2CCN(CCc3nnc(-c4ccccc4)o3)CC2)cc1Cl
InChIInChI=1S/C21H23ClN4O4S/c1-29-19-8-7-17(15-18(19)22)31(27,28)26-13-11-25(12-14-26)10-9-20-23-24-21(30-20)16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3
InChIKeyCZCBGKBDDDWUCB-UHFFFAOYSA-N
XLogP2.95
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.96
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 110658558
2-[2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 110658604
2-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-5-phenyl-1,3,4-oxadiazole
CID 110658538
2-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-5-phenyl-1,3,4-oxadiazole
CID 110658537
2-(2,4-dichlorophenoxy)-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]ethanone
CID 110658483
2-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole
CID 110395798
4-benzyl-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine
CID 1254760
1-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-2-one
CID 110665618
1-[(6-chloro-3-pyridinyl)sulfonyl]-4-[2-(2-methoxyphenyl)ethyl]piperazine
CID 110411379
2-phenyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 110653684
phenyl 4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazine-1-carboxylate
CID 110658516
2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 8692407

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[2-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole (CID 110658572) is 2-[2-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole is COc1ccc(S(=O)(=O)N2CCN(CCc3nnc(-c4ccccc4)o3)CC2)cc1Cl.
What is the InChIKey of 2-[2-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is CZCBGKBDDDWUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O4S/c1-29-19-8-7-17(15-18(19)22)31(27,28)26-13-11-25(12-14-26)10-9-20-23-24-21(30-20)16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3.
What are the key properties of 2-[2-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole?
2-[2-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 462.96 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 110658572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).