4-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]benzamide

C16H16BrN3O4S — CID 1142839

IUPAC4-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]benzamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(C(N)=O)cc1)c1ccccc1Br
InChIInChI=1S/C16H16BrN3O4S/c1-25(23,24)20(14-5-3-2-4-13(14)17)10-15(21)19-12-8-6-11(7-9-12)16(18)22/h2-9H,10H2,1H3,(H2,18,22)(H,19,21)
InChIKeyOIUYNECTIOBXTR-UHFFFAOYSA-N
MW426.29 g/mol
LogP1.95
Rot. Bonds6

About 4-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]benzamide

4-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]benzamide (PubChem CID 1142839) has the molecular formula C16H16BrN3O4S and a molecular weight of 426.29 g/mol. Its IUPAC name is 4-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]benzamide
PubChem CID1142839
Molecular FormulaC16H16BrN3O4S
Molecular Weight426.29 g/mol
Exact Mass425.00
IUPAC Name4-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]benzamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(C(N)=O)cc1)c1ccccc1Br
InChIInChI=1S/C16H16BrN3O4S/c1-25(23,24)20(14-5-3-2-4-13(14)17)10-15(21)19-12-8-6-11(7-9-12)16(18)22/h2-9H,10H2,1H3,(H2,18,22)(H,19,21)
InChIKeyOIUYNECTIOBXTR-UHFFFAOYSA-N
XLogP1.95
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.29
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2-(2-bromo-N-methylsulfonylanilino)acetamide
CID 1314993
2-(2-bromo-N-methylsulfonylanilino)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide
CID 43882152
ethyl 4-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]-2-chlorobenzoate
CID 46771686
2-(2-bromo-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide
CID 2209148
N-(4-bromophenyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 2290689
2-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 51343169
2-(2-bromo-N-methylsulfonylanilino)-N-butan-2-ylacetamide
CID 47409304
2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-phenylacetamide
CID 30257747
2-(2-bromo-N-methylsulfonylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 2893886
N-(3-bromophenyl)-2-(2,3-dichloro-N-methylsulfonylanilino)acetamide
CID 2290391
2-(2-ethyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 113154121
ethyl 2-[(2-anilino-2-oxoethyl)-methylsulfonylamino]benzoate
CID 113157108

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]benzamide?
The IUPAC name of 4-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]benzamide (CID 1142839) is 4-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]benzamide is CS(=O)(=O)N(CC(=O)Nc1ccc(C(N)=O)cc1)c1ccccc1Br.
What is the InChIKey of 4-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]benzamide?
The InChIKey is OIUYNECTIOBXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O4S/c1-25(23,24)20(14-5-3-2-4-13(14)17)10-15(21)19-12-8-6-11(7-9-12)16(18)22/h2-9H,10H2,1H3,(H2,18,22)(H,19,21).
What are the key properties of 4-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]benzamide?
4-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]benzamide has a molecular weight of 426.29 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]benzamide is sourced from PubChem (CID 1142839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).