3-[4-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]phenyl]-5-methyl-1,2,4-oxadiazole

C24H23ClN4O3S — CID 18382106

IUPAC3-[4-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]phenyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(-c2ccc(CN3CCN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3)cc2)no1
InChIInChI=1S/C24H23ClN4O3S/c1-17-26-24(27-32-17)19-4-2-18(3-5-19)16-28-10-12-29(13-11-28)33(30,31)23-9-7-20-14-22(25)8-6-21(20)15-23/h2-9,14-15H,10-13,16H2,1H3
InChIKeyYPJFLIOVYBCGCA-UHFFFAOYSA-N
MW482.99 g/mol
LogP4.36
Rot. Bonds5

About 3-[4-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]phenyl]-5-methyl-1,2,4-oxadiazole

3-[4-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]phenyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 18382106) has the molecular formula C24H23ClN4O3S and a molecular weight of 482.99 g/mol. Its IUPAC name is 3-[4-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]phenyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]phenyl]-5-methyl-1,2,4-oxadiazole
PubChem CID18382106
Molecular FormulaC24H23ClN4O3S
Molecular Weight482.99 g/mol
Exact Mass482.12
IUPAC Name3-[4-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]phenyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(-c2ccc(CN3CCN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3)cc2)no1
InChIInChI=1S/C24H23ClN4O3S/c1-17-26-24(27-32-17)19-4-2-18(3-5-19)16-28-10-12-29(13-11-28)33(30,31)23-9-7-20-14-22(25)8-6-21(20)15-23/h2-9,14-15H,10-13,16H2,1H3
InChIKeyYPJFLIOVYBCGCA-UHFFFAOYSA-N
XLogP4.36
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.99
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[4-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]phenyl]-5-methyl-1,2,4-oxadiazole with MolForge

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Related Compounds

1-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-one
CID 18382260
5-[[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 16608383
1-[(3-chloro-4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 22208128
5-methyl-3-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1,2,4-oxadiazole
CID 11681282
5-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 29115553
3-(4-methoxyphenyl)-5-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 24627197
1-[(3-chlorophenyl)methyl]-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 4849534
5-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidine-2-carbaldehyde
CID 175235147
1-[(4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 1342528
1-[(4-chlorophenyl)methyl]-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine
CID 37498144
1-benzyl-4-(4-chloro-3-methylphenyl)sulfonylpiperazine
CID 1239307
[6-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine;hydrochloride
CID 22710197

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]phenyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[4-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]phenyl]-5-methyl-1,2,4-oxadiazole (CID 18382106) is 3-[4-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]phenyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]phenyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]phenyl]-5-methyl-1,2,4-oxadiazole is Cc1nc(-c2ccc(CN3CCN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3)cc2)no1.
What is the InChIKey of 3-[4-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]phenyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is YPJFLIOVYBCGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O3S/c1-17-26-24(27-32-17)19-4-2-18(3-5-19)16-28-10-12-29(13-11-28)33(30,31)23-9-7-20-14-22(25)8-6-21(20)15-23/h2-9,14-15H,10-13,16H2,1H3.
What are the key properties of 3-[4-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]phenyl]-5-methyl-1,2,4-oxadiazole?
3-[4-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]phenyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 482.99 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]phenyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 18382106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).