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

C21H17N3O3S — CID 1037259

IUPACN-(2-methylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1cccc(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C21H17N3O3S/c1-15-8-5-6-13-19(15)24-28(25,26)18-12-7-11-17(14-18)21-23-22-20(27-21)16-9-3-2-4-10-16/h2-14,24H,1H3
InChIKeyKYGBLMGIYKWMQM-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.51
Rot. Bonds5

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

N-(2-methylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (PubChem CID 1037259) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-(2-methylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
PubChem CID1037259
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC NameN-(2-methylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1cccc(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C21H17N3O3S/c1-15-8-5-6-13-19(15)24-28(25,26)18-12-7-11-17(14-18)21-23-22-20(27-21)16-9-3-2-4-10-16/h2-14,24H,1H3
InChIKeyKYGBLMGIYKWMQM-UHFFFAOYSA-N
XLogP4.51
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The IUPAC name of N-(2-methylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (CID 1037259) is N-(2-methylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-methylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for N-(2-methylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is Cc1ccccc1NS(=O)(=O)c1cccc(-c2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of N-(2-methylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The InChIKey is KYGBLMGIYKWMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c1-15-8-5-6-13-19(15)24-28(25,26)18-12-7-11-17(14-18)21-23-22-20(27-21)16-9-3-2-4-10-16/h2-14,24H,1H3.
What are the key properties of N-(2-methylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
N-(2-methylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide has a molecular weight of 391.45 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 1037259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).