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

C24H26BrClN4O5S — CID 42766100

IUPAC4-bromo-N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCN(CC(=O)N1CCCCC1c1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C24H26BrClN4O5S/c1-34-15-14-29(36(32,33)20-11-7-18(25)8-12-20)16-22(31)30-13-3-2-4-21(30)24-27-23(28-35-24)17-5-9-19(26)10-6-17/h5-12,21H,2-4,13-16H2,1H3
InChIKeyNHDZDNOYNVIVSS-UHFFFAOYSA-N
MW597.92 g/mol
LogP4.54
Rot. Bonds9

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

4-bromo-N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 42766100) has the molecular formula C24H26BrClN4O5S and a molecular weight of 597.92 g/mol. Its IUPAC name is 4-bromo-N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID42766100
Molecular FormulaC24H26BrClN4O5S
Molecular Weight597.92 g/mol
Exact Mass596.05
IUPAC Name4-bromo-N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCN(CC(=O)N1CCCCC1c1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C24H26BrClN4O5S/c1-34-15-14-29(36(32,33)20-11-7-18(25)8-12-20)16-22(31)30-13-3-2-4-21(30)24-27-23(28-35-24)17-5-9-19(26)10-6-17/h5-12,21H,2-4,13-16H2,1H3
InChIKeyNHDZDNOYNVIVSS-UHFFFAOYSA-N
XLogP4.54
TPSA105.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500597.92
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-chloro-N-(2-methoxyethyl)benzamide
CID 5220700
2-chloro-N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 4647461
N-(2-methoxyethyl)-N-methyl-4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 68685654
(E)-N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)-3-phenylprop-2-enamide
CID 6090029
1-[(2R)-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
CID 812538
1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-3-(4-methoxyphenyl)sulfonylpropan-1-one
CID 53011918
N,N-dimethyl-4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 68688156
1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 4537441
N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-N-propylpropanamide
CID 3927157
N-ethyl-N-[2-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 42767319
1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]heptan-1-one
CID 4310348
N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-4-fluoro-N-propylbenzamide
CID 42767293

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzenesulfonamide (CID 42766100) is 4-bromo-N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzenesulfonamide is COCCN(CC(=O)N1CCCCC1c1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is NHDZDNOYNVIVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26BrClN4O5S/c1-34-15-14-29(36(32,33)20-11-7-18(25)8-12-20)16-22(31)30-13-3-2-4-21(30)24-27-23(28-35-24)17-5-9-19(26)10-6-17/h5-12,21H,2-4,13-16H2,1H3.
What are the key properties of 4-bromo-N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzenesulfonamide?
4-bromo-N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 597.92 g/mol, XLogP of 4.54, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 42766100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).