5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide

C16H14N4O4S — CID 22520172

IUPAC5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCc1ccncc1)c1nnc(CS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C16H14N4O4S/c21-15(18-10-12-6-8-17-9-7-12)16-20-19-14(24-16)11-25(22,23)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,18,21)
InChIKeyBAAOVUUNXIWPLB-UHFFFAOYSA-N
MW358.38 g/mol
LogP1.37
Rot. Bonds6

About 5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide

5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 22520172) has the molecular formula C16H14N4O4S and a molecular weight of 358.38 g/mol. Its IUPAC name is 5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID22520172
Molecular FormulaC16H14N4O4S
Molecular Weight358.38 g/mol
Exact Mass358.07
IUPAC Name5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCc1ccncc1)c1nnc(CS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C16H14N4O4S/c21-15(18-10-12-6-8-17-9-7-12)16-20-19-14(24-16)11-25(22,23)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,18,21)
InChIKeyBAAOVUUNXIWPLB-UHFFFAOYSA-N
XLogP1.37
TPSA115.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide (CID 22520172) is 5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide is O=C(NCc1ccncc1)c1nnc(CS(=O)(=O)c2ccccc2)o1.
What is the InChIKey of 5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is BAAOVUUNXIWPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4S/c21-15(18-10-12-6-8-17-9-7-12)16-20-19-14(24-16)11-25(22,23)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,18,21).
What are the key properties of 5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 358.38 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 22520172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).