N-[1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]ethanesulfonamide

C15H18Cl2N4O3S — CID 133351602

IUPACN-[1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(c2nc(-c3cc(Cl)cc(Cl)c3)no2)CC1
InChIInChI=1S/C15H18Cl2N4O3S/c1-2-25(22,23)20-13-3-5-21(6-4-13)15-18-14(19-24-15)10-7-11(16)9-12(17)8-10/h7-9,13,20H,2-6H2,1H3
InChIKeyVRYKSMAEDLFDCN-UHFFFAOYSA-N
MW405.31 g/mol
LogP2.95
Rot. Bonds5

About N-[1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]ethanesulfonamide

N-[1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]ethanesulfonamide (PubChem CID 133351602) has the molecular formula C15H18Cl2N4O3S and a molecular weight of 405.31 g/mol. Its IUPAC name is N-[1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]ethanesulfonamide
PubChem CID133351602
Molecular FormulaC15H18Cl2N4O3S
Molecular Weight405.31 g/mol
Exact Mass404.05
IUPAC NameN-[1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(c2nc(-c3cc(Cl)cc(Cl)c3)no2)CC1
InChIInChI=1S/C15H18Cl2N4O3S/c1-2-25(22,23)20-13-3-5-21(6-4-13)15-18-14(19-24-15)10-7-11(16)9-12(17)8-10/h7-9,13,20H,2-6H2,1H3
InChIKeyVRYKSMAEDLFDCN-UHFFFAOYSA-N
XLogP2.95
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]cyclopropanecarboxamide
CID 133351214
cyclopentyl-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone
CID 133350736
1-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-(dimethylamino)ethanone
CID 133351608
N-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]ethanesulfonamide
CID 133418654
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 22581235
3-(3,5-dichlorophenyl)-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,2,4-oxadiazole
CID 133333464
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 22581244
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
CID 22581243
3-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-oxadiazole
CID 133282203
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 53008811
4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylmorpholine
CID 133351370
2-[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 128961180

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]ethanesulfonamide?
The IUPAC name of N-[1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]ethanesulfonamide (CID 133351602) is N-[1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]ethanesulfonamide?
The canonical SMILES for N-[1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]ethanesulfonamide is CCS(=O)(=O)NC1CCN(c2nc(-c3cc(Cl)cc(Cl)c3)no2)CC1.
What is the InChIKey of N-[1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]ethanesulfonamide?
The InChIKey is VRYKSMAEDLFDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N4O3S/c1-2-25(22,23)20-13-3-5-21(6-4-13)15-18-14(19-24-15)10-7-11(16)9-12(17)8-10/h7-9,13,20H,2-6H2,1H3.
What are the key properties of N-[1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]ethanesulfonamide?
N-[1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]ethanesulfonamide has a molecular weight of 405.31 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]ethanesulfonamide is sourced from PubChem (CID 133351602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).