N-benzyl-2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide

C22H19N3O3S2 — CID 155516199

IUPACN-benzyl-2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1ccccc1-c1nnc(SCc2ccccc2)o1
InChIInChI=1S/C22H19N3O3S2/c26-30(27,23-15-17-9-3-1-4-10-17)20-14-8-7-13-19(20)21-24-25-22(28-21)29-16-18-11-5-2-6-12-18/h1-14,23H,15-16H2
InChIKeyURELNCVQYCCURB-UHFFFAOYSA-N
MW437.55 g/mol
LogP4.51
Rot. Bonds8

About N-benzyl-2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide

N-benzyl-2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (PubChem CID 155516199) has the molecular formula C22H19N3O3S2 and a molecular weight of 437.55 g/mol. Its IUPAC name is N-benzyl-2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
PubChem CID155516199
Molecular FormulaC22H19N3O3S2
Molecular Weight437.55 g/mol
Exact Mass437.09
IUPAC NameN-benzyl-2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1ccccc1-c1nnc(SCc2ccccc2)o1
InChIInChI=1S/C22H19N3O3S2/c26-30(27,23-15-17-9-3-1-4-10-17)20-14-8-7-13-19(20)21-24-25-22(28-21)29-16-18-11-5-2-6-12-18/h1-14,23H,15-16H2
InChIKeyURELNCVQYCCURB-UHFFFAOYSA-N
XLogP4.51
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The IUPAC name of N-benzyl-2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (CID 155516199) is N-benzyl-2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for N-benzyl-2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is O=S(=O)(NCc1ccccc1)c1ccccc1-c1nnc(SCc2ccccc2)o1.
What is the InChIKey of N-benzyl-2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The InChIKey is URELNCVQYCCURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S2/c26-30(27,23-15-17-9-3-1-4-10-17)20-14-8-7-13-19(20)21-24-25-22(28-21)29-16-18-11-5-2-6-12-18/h1-14,23H,15-16H2.
What are the key properties of N-benzyl-2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
N-benzyl-2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide has a molecular weight of 437.55 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 155516199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).