1-(benzenesulfonyl)-N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide

C20H18Cl2N4O4S — CID 43976575

IUPAC1-(benzenesulfonyl)-N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
SMILESO=C(Nc1nnc(-c2cc(Cl)cc(Cl)c2)o1)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C20H18Cl2N4O4S/c21-15-9-14(10-16(22)11-15)19-24-25-20(30-19)23-18(27)13-5-4-8-26(12-13)31(28,29)17-6-2-1-3-7-17/h1-3,6-7,9-11,13H,4-5,8,12H2,(H,23,25,27)
InChIKeyBUMSHPTZQYXLNF-UHFFFAOYSA-N
MW481.36 g/mol
LogP4.08
Rot. Bonds5

About 1-(benzenesulfonyl)-N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide

1-(benzenesulfonyl)-N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide (PubChem CID 43976575) has the molecular formula C20H18Cl2N4O4S and a molecular weight of 481.36 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
PubChem CID43976575
Molecular FormulaC20H18Cl2N4O4S
Molecular Weight481.36 g/mol
Exact Mass480.04
IUPAC Name1-(benzenesulfonyl)-N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
SMILESO=C(Nc1nnc(-c2cc(Cl)cc(Cl)c2)o1)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C20H18Cl2N4O4S/c21-15-9-14(10-16(22)11-15)19-24-25-20(30-19)23-18(27)13-5-4-8-26(12-13)31(28,29)17-6-2-1-3-7-17/h1-3,6-7,9-11,13H,4-5,8,12H2,(H,23,25,27)
InChIKeyBUMSHPTZQYXLNF-UHFFFAOYSA-N
XLogP4.08
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.36
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxamide
CID 16861746
1-(benzenesulfonyl)-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 16861667
1-(benzenesulfonyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 16828917
1-(4-chlorophenyl)sulfonyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 43977858
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-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16862940
1-(4-chlorophenyl)sulfonyl-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 43973074
N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 16854465
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 43976851
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 43976412
1-(4-chlorophenyl)sulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidine-2-carboxamide
CID 16924114

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide (CID 43976575) is 1-(benzenesulfonyl)-N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide is O=C(Nc1nnc(-c2cc(Cl)cc(Cl)c2)o1)C1CCCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide?
The InChIKey is BUMSHPTZQYXLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4O4S/c21-15-9-14(10-16(22)11-15)19-24-25-20(30-19)23-18(27)13-5-4-8-26(12-13)31(28,29)17-6-2-1-3-7-17/h1-3,6-7,9-11,13H,4-5,8,12H2,(H,23,25,27).
What are the key properties of 1-(benzenesulfonyl)-N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide?
1-(benzenesulfonyl)-N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide has a molecular weight of 481.36 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 43976575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).