N-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide

C16H14BrN3O3S — CID 50823022

IUPACN-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(-c2noc(-c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C16H14BrN3O3S/c1-2-24(21,22)20-14-9-5-11(6-10-14)15-18-16(23-19-15)12-3-7-13(17)8-4-12/h3-10,20H,2H2,1H3
InChIKeyAEXVYKMALKKFLX-UHFFFAOYSA-N
MW408.28 g/mol
LogP3.93
Rot. Bonds5

About N-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide

N-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide (PubChem CID 50823022) has the molecular formula C16H14BrN3O3S and a molecular weight of 408.28 g/mol. Its IUPAC name is N-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide
PubChem CID50823022
Molecular FormulaC16H14BrN3O3S
Molecular Weight408.28 g/mol
Exact Mass406.99
IUPAC NameN-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(-c2noc(-c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C16H14BrN3O3S/c1-2-24(21,22)20-14-9-5-11(6-10-14)15-18-16(23-19-15)12-3-7-13(17)8-4-12/h3-10,20H,2H2,1H3
InChIKeyAEXVYKMALKKFLX-UHFFFAOYSA-N
XLogP3.93
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.28
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide
CID 50823155
N-[4-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide
CID 46380468
3-(4-bromophenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 752268
3-(4-bromophenyl)-5-(4-pentylphenyl)-1,2,4-oxadiazole
CID 2056306
4-bromo-N-[4-(ethylsulfonylamino)phenyl]benzamide
CID 47051930
N-[4-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
CID 118730579
N-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzenesulfonamide
CID 4897163
4-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 44560734
N-[1-[3-[4-(ethylsulfonylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 20972370
N-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 104698800
N-[4-[5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide
CID 50823187
N-[4-[3-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 50822916

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide?
The IUPAC name of N-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide (CID 50823022) is N-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(-c2noc(-c3ccc(Br)cc3)n2)cc1.
What is the InChIKey of N-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide?
The InChIKey is AEXVYKMALKKFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O3S/c1-2-24(21,22)20-14-9-5-11(6-10-14)15-18-16(23-19-15)12-3-7-13(17)8-4-12/h3-10,20H,2H2,1H3.
What are the key properties of N-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide?
N-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide has a molecular weight of 408.28 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide is sourced from PubChem (CID 50823022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).