2-[[2-[N-(benzenesulfonyl)-4-bromoanilino]acetyl]amino]benzamide

C21H18BrN3O4S — CID 126032170

IUPAC2-[[2-[N-(benzenesulfonyl)-4-bromoanilino]acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H18BrN3O4S/c22-15-10-12-16(13-11-15)25(30(28,29)17-6-2-1-3-7-17)14-20(26)24-19-9-5-4-8-18(19)21(23)27/h1-13H,14H2,(H2,23,27)(H,24,26)
InChIKeyUDOCJKHEZWYKRJ-UHFFFAOYSA-N
MW488.36 g/mol
LogP3.38
Rot. Bonds7

About 2-[[2-[N-(benzenesulfonyl)-4-bromoanilino]acetyl]amino]benzamide

2-[[2-[N-(benzenesulfonyl)-4-bromoanilino]acetyl]amino]benzamide (PubChem CID 126032170) has the molecular formula C21H18BrN3O4S and a molecular weight of 488.36 g/mol. Its IUPAC name is 2-[[2-[N-(benzenesulfonyl)-4-bromoanilino]acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-[N-(benzenesulfonyl)-4-bromoanilino]acetyl]amino]benzamide
PubChem CID126032170
Molecular FormulaC21H18BrN3O4S
Molecular Weight488.36 g/mol
Exact Mass487.02
IUPAC Name2-[[2-[N-(benzenesulfonyl)-4-bromoanilino]acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H18BrN3O4S/c22-15-10-12-16(13-11-15)25(30(28,29)17-6-2-1-3-7-17)14-20(26)24-19-9-5-4-8-18(19)21(23)27/h1-13H,14H2,(H2,23,27)(H,24,26)
InChIKeyUDOCJKHEZWYKRJ-UHFFFAOYSA-N
XLogP3.38
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.36
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(2-bromophenyl)acetamide
CID 43891619
2-[[2-[N-(benzenesulfonyl)-4-bromoanilino]acetyl]amino]-N-benzylbenzamide
CID 126032953
2-[[2-[N-(benzenesulfonyl)-4-bromoanilino]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 126123469
2-[[2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetyl]amino]benzamide
CID 126032099
2-[N-(benzenesulfonyl)-4-bromoanilino]acetamide
CID 1099916
2-methyl-3-[[2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 53279437
2-[N-(benzenesulfonyl)anilino]-N-(4-bromo-2-fluorophenyl)acetamide
CID 26565252
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(4-bromo-2-fluorophenyl)acetamide
CID 21371746
2-[[2-[N-(benzenesulfonyl)-2-ethoxyanilino]acetyl]amino]benzamide
CID 126029637
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide
CID 126278937
2-[[2-[N-(benzenesulfonyl)anilino]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 126145187
methyl 2-[[2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]acetyl]amino]benzoate
CID 1357188

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[N-(benzenesulfonyl)-4-bromoanilino]acetyl]amino]benzamide?
The IUPAC name of 2-[[2-[N-(benzenesulfonyl)-4-bromoanilino]acetyl]amino]benzamide (CID 126032170) is 2-[[2-[N-(benzenesulfonyl)-4-bromoanilino]acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-[N-(benzenesulfonyl)-4-bromoanilino]acetyl]amino]benzamide?
The canonical SMILES for 2-[[2-[N-(benzenesulfonyl)-4-bromoanilino]acetyl]amino]benzamide is NC(=O)c1ccccc1NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[[2-[N-(benzenesulfonyl)-4-bromoanilino]acetyl]amino]benzamide?
The InChIKey is UDOCJKHEZWYKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN3O4S/c22-15-10-12-16(13-11-15)25(30(28,29)17-6-2-1-3-7-17)14-20(26)24-19-9-5-4-8-18(19)21(23)27/h1-13H,14H2,(H2,23,27)(H,24,26).
What are the key properties of 2-[[2-[N-(benzenesulfonyl)-4-bromoanilino]acetyl]amino]benzamide?
2-[[2-[N-(benzenesulfonyl)-4-bromoanilino]acetyl]amino]benzamide has a molecular weight of 488.36 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[N-(benzenesulfonyl)-4-bromoanilino]acetyl]amino]benzamide is sourced from PubChem (CID 126032170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).