N-(2-{5-[4-(bromomethyl)phenyl]-1,3,4-oxadiazol-2-yl}phenyl)-4-methylbenzene-1-sulfonamide|N-(2-(5-(4-(bromomethyl)phenyl)-1,3,4-oxadiazol-2-yl)phenyl)-4-methylbenzenesulfonamide|N-(2-{5-[4-(bromome...

General Information

Structure

Molecular Formula

C₂₂H₁₈BrN₃O₃S

Molecular Mass

484.36562

Exact Mass

483.02522445

Charge

InChI

InChI=1S/C22H18BrN3O3S/c1-15-6-12-18(13-7-15)30(27,28)26-20-5-3-2-4-19(20)22-25-24-21(29-22)17-10-8-16(14-23)9-11-17/h2-13,26H,14H2,1H3

InChIKey

PEVMBVJRIJMRPT-UHFFFAOYSA-N

Canonic Smiles

BrCc1ccc(cc1)c1nnc(o1)c1ccccc1NS(=O)(=O)c1ccc(cc1)C

Isomeric Smiles

S(=O)(=O)(Nc1c(c2oc(nn2)c2ccc(cc2)CBr)cccc1)c1ccc(cc1)C

Calculated Properties

JChem

Acid pKa

7.3032784

H Acceptors

H Donor

LogD (pH = 5.5)

4.7720504

LogD (pH = 7.4)

4.483824

Log P

4.77805

Molar Refractivity

141.9106

Polarizability

47.074787

Polar Surface Area

85.09

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

N-(2-(5-(4-(bromomethyl)phenyl)-1,3,4-oxadiazol-2-yl)phenyl)-4-methylbenzenesulfonamide

IUPAC name

N-(2-{5-[4-(bromomethyl)phenyl]-1,3,4-oxadiazol-2-yl}phenyl)-4-methylbenzene-1-sulfonamide

IUPAC Traditional name

N-(2-{5-[4-(bromomethyl)phenyl]-1,3,4-oxadiazol-2-yl}phenyl)-4-methylbenzenesulfonamide

Names and Identifiers

Registration numbers

PubChem CID

1898790

PubChem SID

162216264

Registration numbers

Properties

No Data Available

Click here to submit data

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

暂无数据

点击上传数据

References

PubChem Literature

No Data Available

Click here to submit data

References

Bioactivity

PubChem BioAssay

Bioactivity

Molecule

ID:121911