N-[(4-methylphenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide

C22H19N3O3S — CID 46397233

IUPACN-[(4-methylphenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccccc2-c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C22H19N3O3S/c1-16-11-13-17(14-12-16)15-23-29(26,27)20-10-6-5-9-19(20)22-24-21(25-28-22)18-7-3-2-4-8-18/h2-14,23H,15H2,1H3
InChIKeyBNJZFASWIDWICI-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.19
Rot. Bonds6

About N-[(4-methylphenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide

N-[(4-methylphenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide (PubChem CID 46397233) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
PubChem CID46397233
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC NameN-[(4-methylphenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccccc2-c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C22H19N3O3S/c1-16-11-13-17(14-12-16)15-23-29(26,27)20-10-6-5-9-19(20)22-24-21(25-28-22)18-7-3-2-4-8-18/h2-14,23H,15H2,1H3
InChIKeyBNJZFASWIDWICI-UHFFFAOYSA-N
XLogP4.19
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylbutan-2-yl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 46397258
2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 50842176
N-benzyl-2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
CID 50821805
N-[(4-fluorophenyl)methyl]-2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
CID 50821963
2-cyano-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 2572565
5-(2-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867102
N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
CID 50822110
N-(3,4-difluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50842970
3-(4-methylphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole
CID 8895143
4-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 110322575
4-methyl-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 30332728
N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 4898260

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide (CID 46397233) is N-[(4-methylphenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide is Cc1ccc(CNS(=O)(=O)c2ccccc2-c2nc(-c3ccccc3)no2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The InChIKey is BNJZFASWIDWICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-16-11-13-17(14-12-16)15-23-29(26,27)20-10-6-5-9-19(20)22-24-21(25-28-22)18-7-3-2-4-8-18/h2-14,23H,15H2,1H3.
What are the key properties of N-[(4-methylphenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
N-[(4-methylphenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide has a molecular weight of 405.48 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 46397233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).