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

C21H17N3O3S — CID 69470153

IUPAC2-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1Cc1ccc(-c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C21H17N3O3S/c22-28(25,26)19-9-5-4-8-18(19)14-15-10-12-17(13-11-15)21-24-23-20(27-21)16-6-2-1-3-7-16/h1-13H,14H2,(H2,22,25,26)
InChIKeyQPGDTJDGYMLOLT-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.64
Rot. Bonds5

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

2-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide (PubChem CID 69470153) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is 2-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide
PubChem CID69470153
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC Name2-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1Cc1ccc(-c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C21H17N3O3S/c22-28(25,26)19-9-5-4-8-18(19)14-15-10-12-17(13-11-15)21-24-23-20(27-21)16-6-2-1-3-7-16/h1-13H,14H2,(H2,22,25,26)
InChIKeyQPGDTJDGYMLOLT-UHFFFAOYSA-N
XLogP3.64
TPSA99.08 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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 2-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide (CID 69470153) is 2-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 2-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide is NS(=O)(=O)c1ccccc1Cc1ccc(-c2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of 2-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide?
The InChIKey is QPGDTJDGYMLOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c22-28(25,26)19-9-5-4-8-18(19)14-15-10-12-17(13-11-15)21-24-23-20(27-21)16-6-2-1-3-7-16/h1-13H,14H2,(H2,22,25,26).
What are the key properties of 2-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide?
2-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide has a molecular weight of 391.45 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 69470153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).