3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-2-ylmethyl)benzenesulfonamide

C15H14N4O3S — CID 50808247

IUPAC3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCc1nc(-c2cccc(S(=O)(=O)NCc3ccccn3)c2)no1
InChIInChI=1S/C15H14N4O3S/c1-11-18-15(19-22-11)12-5-4-7-14(9-12)23(20,21)17-10-13-6-2-3-8-16-13/h2-9,17H,10H2,1H3
InChIKeyITDCQPYCXXHDRN-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.92
Rot. Bonds5

About 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-2-ylmethyl)benzenesulfonamide

3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 50808247) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID50808247
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC Name3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCc1nc(-c2cccc(S(=O)(=O)NCc3ccccn3)c2)no1
InChIInChI=1S/C15H14N4O3S/c1-11-18-15(19-22-11)12-5-4-7-14(9-12)23(20,21)17-10-13-6-2-3-8-16-13/h2-9,17H,10H2,1H3
InChIKeyITDCQPYCXXHDRN-UHFFFAOYSA-N
XLogP1.92
TPSA97.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 53095647
3-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 16795667
3-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 110322586
N-(4-ethoxyphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
CID 53042625
4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 731623
N-(3,4-difluorophenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
CID 53042636
N-(2-ethylphenyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109064805
3-[(2-methylphenyl)methylsulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 109064542
3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 46365646
3-amino-4-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 43257796
N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylbenzenesulfonamide
CID 110323036
N-benzyl-N-methyl-3-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109064675

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 50808247) is 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-2-ylmethyl)benzenesulfonamide is Cc1nc(-c2cccc(S(=O)(=O)NCc3ccccn3)c2)no1.
What is the InChIKey of 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is ITDCQPYCXXHDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S/c1-11-18-15(19-22-11)12-5-4-7-14(9-12)23(20,21)17-10-13-6-2-3-8-16-13/h2-9,17H,10H2,1H3.
What are the key properties of 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-2-ylmethyl)benzenesulfonamide?
3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 330.37 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 50808247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).