2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(2-bromophenyl)acetamide

C20H16Br2N2O3S — CID 43891619

IUPAC2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(2-bromophenyl)acetamide
SMILESO=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)Nc1ccccc1Br
InChIInChI=1S/C20H16Br2N2O3S/c21-15-10-12-16(13-11-15)24(28(26,27)17-6-2-1-3-7-17)14-20(25)23-19-9-5-4-8-18(19)22/h1-13H,14H2,(H,23,25)
InChIKeyDBIZYXJSFDCWOO-UHFFFAOYSA-N
MW524.23 g/mol
LogP5.05
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(2-bromophenyl)acetamide

2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(2-bromophenyl)acetamide (PubChem CID 43891619) has the molecular formula C20H16Br2N2O3S and a molecular weight of 524.23 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(2-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(2-bromophenyl)acetamide
PubChem CID43891619
Molecular FormulaC20H16Br2N2O3S
Molecular Weight524.23 g/mol
Exact Mass521.92
IUPAC Name2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(2-bromophenyl)acetamide
SMILESO=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)Nc1ccccc1Br
InChIInChI=1S/C20H16Br2N2O3S/c21-15-10-12-16(13-11-15)24(28(26,27)17-6-2-1-3-7-17)14-20(25)23-19-9-5-4-8-18(19)22/h1-13H,14H2,(H,23,25)
InChIKeyDBIZYXJSFDCWOO-UHFFFAOYSA-N
XLogP5.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.23
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[N-(benzenesulfonyl)-4-bromoanilino]acetyl]amino]benzamide
CID 126032170
N-(2-bromophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51345310
2-[[2-[N-(benzenesulfonyl)-4-bromoanilino]acetyl]amino]-N-benzylbenzamide
CID 126032953
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2-bromophenyl)acetamide
CID 1365040
2-[[2-[N-(benzenesulfonyl)-4-bromoanilino]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 126123469
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-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide
CID 126278937
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2-bromo-4-methylphenyl)acetamide
CID 26565833
N-(2-bromophenyl)-2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 1362950
2-[N-(benzenesulfonyl)-4-bromoanilino]acetate
CID 7329873
2-[N-(benzenesulfonyl)-4-bromoanilino]acetamide
CID 1099916

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(2-bromophenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(2-bromophenyl)acetamide (CID 43891619) is 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(2-bromophenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(2-bromophenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(2-bromophenyl)acetamide is O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)Nc1ccccc1Br.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(2-bromophenyl)acetamide?
The InChIKey is DBIZYXJSFDCWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Br2N2O3S/c21-15-10-12-16(13-11-15)24(28(26,27)17-6-2-1-3-7-17)14-20(25)23-19-9-5-4-8-18(19)22/h1-13H,14H2,(H,23,25).
What are the key properties of 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(2-bromophenyl)acetamide?
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(2-bromophenyl)acetamide has a molecular weight of 524.23 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(2-bromophenyl)acetamide is sourced from PubChem (CID 43891619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).