N-[2-[5-[(4-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]pyridine-2-carboxamide

C17H15ClN4O4S — CID 9190388

IUPACN-[2-[5-[(4-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]pyridine-2-carboxamide
SMILESO=C(NCCc1nnc(S(=O)(=O)Cc2ccc(Cl)cc2)o1)c1ccccn1
InChIInChI=1S/C17H15ClN4O4S/c18-13-6-4-12(5-7-13)11-27(24,25)17-22-21-15(26-17)8-10-20-16(23)14-3-1-2-9-19-14/h1-7,9H,8,10-11H2,(H,20,23)
InChIKeyXVKOTHSSANECIJ-UHFFFAOYSA-N
MW406.85 g/mol
LogP2.06
Rot. Bonds7

About N-[2-[5-[(4-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]pyridine-2-carboxamide

N-[2-[5-[(4-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]pyridine-2-carboxamide (PubChem CID 9190388) has the molecular formula C17H15ClN4O4S and a molecular weight of 406.85 g/mol. Its IUPAC name is N-[2-[5-[(4-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[5-[(4-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]pyridine-2-carboxamide
PubChem CID9190388
Molecular FormulaC17H15ClN4O4S
Molecular Weight406.85 g/mol
Exact Mass406.05
IUPAC NameN-[2-[5-[(4-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]pyridine-2-carboxamide
SMILESO=C(NCCc1nnc(S(=O)(=O)Cc2ccc(Cl)cc2)o1)c1ccccn1
InChIInChI=1S/C17H15ClN4O4S/c18-13-6-4-12(5-7-13)11-27(24,25)17-22-21-15(26-17)8-10-20-16(23)14-3-1-2-9-19-14/h1-7,9H,8,10-11H2,(H,20,23)
InChIKeyXVKOTHSSANECIJ-UHFFFAOYSA-N
XLogP2.06
TPSA115.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.85
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]pyridine-2-carboxamide
CID 9189643
N-[2-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-methylpropanamide
CID 9190069
4-fluoro-N-[2-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 9190243
N-[2-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 9190102
N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2-carboxamide
CID 9188441
2-(4-chlorophenyl)-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 110320533
N-[3-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-4-methylbenzamide
CID 9190489
N-[2-(4-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide
CID 110795964
N-[2-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]-3-methylbutanamide
CID 9190207
N-[[5-[(4-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]piperidine-1-carboxamide
CID 9189905
N-[2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]piperidine-1-carboxamide
CID 9190179
N-[2-(2,3,4-trifluorophenyl)ethyl]pyridine-2-carboxamide
CID 110481973

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(4-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-[5-[(4-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]pyridine-2-carboxamide (CID 9190388) is N-[2-[5-[(4-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[5-[(4-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[5-[(4-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]pyridine-2-carboxamide is O=C(NCCc1nnc(S(=O)(=O)Cc2ccc(Cl)cc2)o1)c1ccccn1.
What is the InChIKey of N-[2-[5-[(4-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]pyridine-2-carboxamide?
The InChIKey is XVKOTHSSANECIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O4S/c18-13-6-4-12(5-7-13)11-27(24,25)17-22-21-15(26-17)8-10-20-16(23)14-3-1-2-9-19-14/h1-7,9H,8,10-11H2,(H,20,23).
What are the key properties of N-[2-[5-[(4-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]pyridine-2-carboxamide?
N-[2-[5-[(4-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]pyridine-2-carboxamide has a molecular weight of 406.85 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(4-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 9190388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).