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

C17H15N3O4S — CID 22431959

IUPAC5-(benzenesulfonylmethyl)-N-benzyl-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCc1ccccc1)c1nnc(CS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C17H15N3O4S/c21-16(18-11-13-7-3-1-4-8-13)17-20-19-15(24-17)12-25(22,23)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,18,21)
InChIKeyKJZCUAAYKVHQFG-UHFFFAOYSA-N
MW357.39 g/mol
LogP1.97
Rot. Bonds6

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

5-(benzenesulfonylmethyl)-N-benzyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 22431959) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is 5-(benzenesulfonylmethyl)-N-benzyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonylmethyl)-N-benzyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID22431959
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC Name5-(benzenesulfonylmethyl)-N-benzyl-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCc1ccccc1)c1nnc(CS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C17H15N3O4S/c21-16(18-11-13-7-3-1-4-8-13)17-20-19-15(24-17)12-25(22,23)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,18,21)
InChIKeyKJZCUAAYKVHQFG-UHFFFAOYSA-N
XLogP1.97
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431714
3-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 5299617
N,5-bis[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22432031
N-benzyl-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859579
5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 51155551
N-benzyl-5-[(2,4-dichlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431605
methyl 4-[[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate
CID 44921757
N-[[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 71662151
5-benzyl-N-[(2-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 110393203
N-benzyl-5-[(4-bromophenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859597
2-(benzenesulfonylmethyl)-5-phenyl-1,3,4-oxadiazole
CID 42632398
5-benzyl-N-propyl-1,3,4-oxadiazole-2-carboxamide
CID 110393170

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonylmethyl)-N-benzyl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(benzenesulfonylmethyl)-N-benzyl-1,3,4-oxadiazole-2-carboxamide (CID 22431959) is 5-(benzenesulfonylmethyl)-N-benzyl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfonylmethyl)-N-benzyl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(benzenesulfonylmethyl)-N-benzyl-1,3,4-oxadiazole-2-carboxamide is O=C(NCc1ccccc1)c1nnc(CS(=O)(=O)c2ccccc2)o1.
What is the InChIKey of 5-(benzenesulfonylmethyl)-N-benzyl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is KJZCUAAYKVHQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S/c21-16(18-11-13-7-3-1-4-8-13)17-20-19-15(24-17)12-25(22,23)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,18,21).
What are the key properties of 5-(benzenesulfonylmethyl)-N-benzyl-1,3,4-oxadiazole-2-carboxamide?
5-(benzenesulfonylmethyl)-N-benzyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 357.39 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonylmethyl)-N-benzyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 22431959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).