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

C17H17N3O3S2 — CID 155563588

IUPACN-benzyl-2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESCCSc1nnc(-c2ccccc2S(=O)(=O)NCc2ccccc2)o1
InChIInChI=1S/C17H17N3O3S2/c1-2-24-17-20-19-16(23-17)14-10-6-7-11-15(14)25(21,22)18-12-13-8-4-3-5-9-13/h3-11,18H,2,12H2,1H3
InChIKeyQFNYLGWLXRAGSC-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.33
Rot. Bonds7

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

N-benzyl-2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (PubChem CID 155563588) has the molecular formula C17H17N3O3S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is N-benzyl-2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
PubChem CID155563588
Molecular FormulaC17H17N3O3S2
Molecular Weight375.48 g/mol
Exact Mass375.07
IUPAC NameN-benzyl-2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESCCSc1nnc(-c2ccccc2S(=O)(=O)NCc2ccccc2)o1
InChIInChI=1S/C17H17N3O3S2/c1-2-24-17-20-19-16(23-17)14-10-6-7-11-15(14)25(21,22)18-12-13-8-4-3-5-9-13/h3-11,18H,2,12H2,1H3
InChIKeyQFNYLGWLXRAGSC-UHFFFAOYSA-N
XLogP3.33
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.33
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-ethylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The IUPAC name of N-benzyl-2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (CID 155563588) is N-benzyl-2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for N-benzyl-2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is CCSc1nnc(-c2ccccc2S(=O)(=O)NCc2ccccc2)o1.
What is the InChIKey of N-benzyl-2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The InChIKey is QFNYLGWLXRAGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S2/c1-2-24-17-20-19-16(23-17)14-10-6-7-11-15(14)25(21,22)18-12-13-8-4-3-5-9-13/h3-11,18H,2,12H2,1H3.
What are the key properties of N-benzyl-2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
N-benzyl-2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide has a molecular weight of 375.48 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 155563588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).