N-[1-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperidin-4-yl]benzenesulfonamide

C21H23ClN4O3S — CID 55498685

IUPACN-[1-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperidin-4-yl]benzenesulfonamide
SMILESCC(c1nnc(-c2cccc(Cl)c2)o1)N1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C21H23ClN4O3S/c1-15(20-23-24-21(29-20)16-6-5-7-17(22)14-16)26-12-10-18(11-13-26)25-30(27,28)19-8-3-2-4-9-19/h2-9,14-15,18,25H,10-13H2,1H3
InChIKeyIDFFOZJKMPFXJZ-UHFFFAOYSA-N
MW446.96 g/mol
LogP3.89
Rot. Bonds6

About N-[1-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperidin-4-yl]benzenesulfonamide

N-[1-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 55498685) has the molecular formula C21H23ClN4O3S and a molecular weight of 446.96 g/mol. Its IUPAC name is N-[1-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperidin-4-yl]benzenesulfonamide
PubChem CID55498685
Molecular FormulaC21H23ClN4O3S
Molecular Weight446.96 g/mol
Exact Mass446.12
IUPAC NameN-[1-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperidin-4-yl]benzenesulfonamide
SMILESCC(c1nnc(-c2cccc(Cl)c2)o1)N1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C21H23ClN4O3S/c1-15(20-23-24-21(29-20)16-6-5-7-17(22)14-16)26-12-10-18(11-13-26)25-30(27,28)19-8-3-2-4-9-19/h2-9,14-15,18,25H,10-13H2,1H3
InChIKeyIDFFOZJKMPFXJZ-UHFFFAOYSA-N
XLogP3.89
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.96
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-chlorophenyl)-5-[(1S)-1-(4-phenylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 31308998
2-(3-chlorophenyl)-5-[(1R)-1-(4-phenylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 31308994
(2R,6S)-4-[(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2,6-dimethylmorpholine
CID 29241115
2-(3-chlorophenyl)-5-[1-(4-pentylsulfonylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 86936903
2-(3-chlorophenyl)-5-[(1S)-1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 8620018
4-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylmorpholine
CID 51294713
2-(3-chlorophenyl)-5-[(1R)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 8596494
N-[1-[1-(2,6-difluorophenyl)ethyl]piperidin-4-yl]benzenesulfonamide
CID 87015324
N-[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]benzenesulfonamide
CID 55922553
2-(3-chlorophenyl)-5-[1-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 51225270
2-[(1R)-1-(4-methylsulfonylpiperazin-1-yl)ethyl]-5-phenyl-1,3,4-oxadiazole
CID 31873148
2-(3-chlorophenyl)-5-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3,4-oxadiazole
CID 46527762

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-[1-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperidin-4-yl]benzenesulfonamide (CID 55498685) is N-[1-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-[1-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperidin-4-yl]benzenesulfonamide is CC(c1nnc(-c2cccc(Cl)c2)o1)N1CCC(NS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[1-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is IDFFOZJKMPFXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O3S/c1-15(20-23-24-21(29-20)16-6-5-7-17(22)14-16)26-12-10-18(11-13-26)25-30(27,28)19-8-3-2-4-9-19/h2-9,14-15,18,25H,10-13H2,1H3.
What are the key properties of N-[1-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperidin-4-yl]benzenesulfonamide?
N-[1-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 446.96 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 55498685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).