N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide

C21H21ClN4O4S — CID 16862940

IUPACN-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3nnc(-c4ccccc4Cl)o3)C2)cc1
InChIInChI=1S/C21H21ClN4O4S/c1-14-8-10-16(11-9-14)31(28,29)26-12-4-5-15(13-26)19(27)23-21-25-24-20(30-21)17-6-2-3-7-18(17)22/h2-3,6-11,15H,4-5,12-13H2,1H3,(H,23,25,27)
InChIKeyYADVZOCCWIFWMZ-UHFFFAOYSA-N
MW460.94 g/mol
LogP3.74
Rot. Bonds5

About N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide

N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 16862940) has the molecular formula C21H21ClN4O4S and a molecular weight of 460.94 g/mol. Its IUPAC name is N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID16862940
Molecular FormulaC21H21ClN4O4S
Molecular Weight460.94 g/mol
Exact Mass460.10
IUPAC NameN-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3nnc(-c4ccccc4Cl)o3)C2)cc1
InChIInChI=1S/C21H21ClN4O4S/c1-14-8-10-16(11-9-14)31(28,29)26-12-4-5-15(13-26)19(27)23-21-25-24-20(30-21)17-6-2-3-7-18(17)22/h2-3,6-11,15H,4-5,12-13H2,1H3,(H,23,25,27)
InChIKeyYADVZOCCWIFWMZ-UHFFFAOYSA-N
XLogP3.74
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.94
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(benzenesulfonyl)-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 16861667
1-(4-chlorophenyl)sulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxamide
CID 16861746
N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 43977098
1-(benzenesulfonyl)-N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 43976575
N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16863030
1-(4-chlorophenyl)sulfonyl-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 43973074
1-(benzenesulfonyl)-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 43977851
1-(benzenesulfonyl)-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 16861734
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 16824114
1-(4-chlorophenyl)sulfonyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 43977858
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 16923888
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 43976851

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide (CID 16862940) is N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3nnc(-c4ccccc4Cl)o3)C2)cc1.
What is the InChIKey of N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is YADVZOCCWIFWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O4S/c1-14-8-10-16(11-9-14)31(28,29)26-12-4-5-15(13-26)19(27)23-21-25-24-20(30-21)17-6-2-3-7-18(17)22/h2-3,6-11,15H,4-5,12-13H2,1H3,(H,23,25,27).
What are the key properties of N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 460.94 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 16862940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).