4-bromo-3-(dimethylsulfamoyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide

C18H17BrN4O4S — CID 55731590

IUPAC4-bromo-3-(dimethylsulfamoyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCc1ccc(-c2nnco2)cc1NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H17BrN4O4S/c1-11-4-5-13(18-22-20-10-27-18)8-15(11)21-17(24)12-6-7-14(19)16(9-12)28(25,26)23(2)3/h4-10H,1-3H3,(H,21,24)
InChIKeyXGIFLGVYELHUIL-UHFFFAOYSA-N
MW465.33 g/mol
LogP3.31
Rot. Bonds5

About 4-bromo-3-(dimethylsulfamoyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide

4-bromo-3-(dimethylsulfamoyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide (PubChem CID 55731590) has the molecular formula C18H17BrN4O4S and a molecular weight of 465.33 g/mol. Its IUPAC name is 4-bromo-3-(dimethylsulfamoyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-(dimethylsulfamoyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
PubChem CID55731590
Molecular FormulaC18H17BrN4O4S
Molecular Weight465.33 g/mol
Exact Mass464.02
IUPAC Name4-bromo-3-(dimethylsulfamoyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCc1ccc(-c2nnco2)cc1NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H17BrN4O4S/c1-11-4-5-13(18-22-20-10-27-18)8-15(11)21-17(24)12-6-7-14(19)16(9-12)28(25,26)23(2)3/h4-10H,1-3H3,(H,21,24)
InChIKeyXGIFLGVYELHUIL-UHFFFAOYSA-N
XLogP3.31
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 55964358
4-bromo-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 60954664
5-chloro-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618296
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 55965254
2-(4-tert-butylphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-oxoacetamide
CID 75417439
2-chloro-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]furan-3-carboxamide
CID 106685977
4-bromo-N-(3,5-dimethylphenyl)-3-(dimethylsulfamoyl)benzamide
CID 26409361
2-(methylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 43706139
3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 62230630
2,2,2-trifluoro-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 63374700
2-cyclohexyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 55731811
3-chloro-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 63679608

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(dimethylsulfamoyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The IUPAC name of 4-bromo-3-(dimethylsulfamoyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide (CID 55731590) is 4-bromo-3-(dimethylsulfamoyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-bromo-3-(dimethylsulfamoyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The canonical SMILES for 4-bromo-3-(dimethylsulfamoyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide is Cc1ccc(-c2nnco2)cc1NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 4-bromo-3-(dimethylsulfamoyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The InChIKey is XGIFLGVYELHUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O4S/c1-11-4-5-13(18-22-20-10-27-18)8-15(11)21-17(24)12-6-7-14(19)16(9-12)28(25,26)23(2)3/h4-10H,1-3H3,(H,21,24).
What are the key properties of 4-bromo-3-(dimethylsulfamoyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide?
4-bromo-3-(dimethylsulfamoyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide has a molecular weight of 465.33 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(dimethylsulfamoyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 55731590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).