2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(4-sulfamoylphenyl)methyl]acetamide

C22H21BrClN3O5S2 — CID 43874583

IUPAC2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C22H21BrClN3O5S2/c23-18-7-11-20(12-8-18)34(31,32)27(14-17-3-1-2-4-21(17)24)15-22(28)26-13-16-5-9-19(10-6-16)33(25,29)30/h1-12H,13-15H2,(H,26,28)(H2,25,29,30)
InChIKeyAANGUMMFNAVPLJ-UHFFFAOYSA-N
MW586.92 g/mol
LogP3.26
Rot. Bonds9

About 2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(4-sulfamoylphenyl)methyl]acetamide

2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(4-sulfamoylphenyl)methyl]acetamide (PubChem CID 43874583) has the molecular formula C22H21BrClN3O5S2 and a molecular weight of 586.92 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(4-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(4-sulfamoylphenyl)methyl]acetamide
PubChem CID43874583
Molecular FormulaC22H21BrClN3O5S2
Molecular Weight586.92 g/mol
Exact Mass584.98
IUPAC Name2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C22H21BrClN3O5S2/c23-18-7-11-20(12-8-18)34(31,32)27(14-17-3-1-2-4-21(17)24)15-22(28)26-13-16-5-9-19(10-6-16)33(25,29)30/h1-12H,13-15H2,(H,26,28)(H2,25,29,30)
InChIKeyAANGUMMFNAVPLJ-UHFFFAOYSA-N
XLogP3.26
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.92
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(4-sulfamoylphenyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 43874588
2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 43874460
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]acetamide
CID 126066389
2-[4-[[2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]acetyl]amino]phenyl]acetamide
CID 100794687
N-[(4-chlorophenyl)methyl]-2-[(2-chlorophenyl)methyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 71904798
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide
CID 100792928
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide
CID 126209307
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(4-chlorophenyl)acetamide
CID 126204931
N-[(2-chlorophenyl)methyl]-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 1320309
2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide
CID 100793679
2-[benzenesulfonyl(benzyl)amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 2545354
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 43874511

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(4-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(4-sulfamoylphenyl)methyl]acetamide (CID 43874583) is 2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(4-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(4-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(4-sulfamoylphenyl)methyl]acetamide is NS(=O)(=O)c1ccc(CNC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(4-sulfamoylphenyl)methyl]acetamide?
The InChIKey is AANGUMMFNAVPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrClN3O5S2/c23-18-7-11-20(12-8-18)34(31,32)27(14-17-3-1-2-4-21(17)24)15-22(28)26-13-16-5-9-19(10-6-16)33(25,29)30/h1-12H,13-15H2,(H,26,28)(H2,25,29,30).
What are the key properties of 2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(4-sulfamoylphenyl)methyl]acetamide?
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(4-sulfamoylphenyl)methyl]acetamide has a molecular weight of 586.92 g/mol, XLogP of 3.26, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(4-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 43874583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).