2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-iodophenyl)acetamide

C20H16BrIN2O3S — CID 43891612

IUPAC2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-iodophenyl)acetamide
SMILESO=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)Nc1ccc(I)cc1
InChIInChI=1S/C20H16BrIN2O3S/c21-15-5-4-6-18(13-15)24(28(26,27)19-7-2-1-3-8-19)14-20(25)23-17-11-9-16(22)10-12-17/h1-13H,14H2,(H,23,25)
InChIKeyBLNIRDSAPQVGEQ-UHFFFAOYSA-N
MW571.23 g/mol
LogP4.89
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-iodophenyl)acetamide

2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-iodophenyl)acetamide (PubChem CID 43891612) has the molecular formula C20H16BrIN2O3S and a molecular weight of 571.23 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-iodophenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-iodophenyl)acetamide
PubChem CID43891612
Molecular FormulaC20H16BrIN2O3S
Molecular Weight571.23 g/mol
Exact Mass569.91
IUPAC Name2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-iodophenyl)acetamide
SMILESO=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)Nc1ccc(I)cc1
InChIInChI=1S/C20H16BrIN2O3S/c21-15-5-4-6-18(13-15)24(28(26,27)19-7-2-1-3-8-19)14-20(25)23-17-11-9-16(22)10-12-17/h1-13H,14H2,(H,23,25)
InChIKeyBLNIRDSAPQVGEQ-UHFFFAOYSA-N
XLogP4.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.23
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-ethoxyphenyl)acetamide
CID 1361638
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-butylphenyl)acetamide
CID 21372628
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(4-bromophenyl)acetamide
CID 43891649
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43881610
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 51343347
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide
CID 43877099
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 30171324
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(2-ethylphenyl)acetamide
CID 30169534
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-bromo-2-fluorophenyl)acetamide
CID 126258294
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3-bromophenyl)acetamide
CID 1204014
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(3,4-dichlorophenyl)acetamide
CID 126267956
2-[N-(benzenesulfonyl)-3-bromoanilino]acetate
CID 7308169

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-iodophenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-iodophenyl)acetamide (CID 43891612) is 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-iodophenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-iodophenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-iodophenyl)acetamide is O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)Nc1ccc(I)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-iodophenyl)acetamide?
The InChIKey is BLNIRDSAPQVGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrIN2O3S/c21-15-5-4-6-18(13-15)24(28(26,27)19-7-2-1-3-8-19)14-20(25)23-17-11-9-16(22)10-12-17/h1-13H,14H2,(H,23,25).
What are the key properties of 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-iodophenyl)acetamide?
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-iodophenyl)acetamide has a molecular weight of 571.23 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-iodophenyl)acetamide is sourced from PubChem (CID 43891612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).