2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-chloro-2-methylphenyl)acetamide

C22H19BrCl2N2O3S — CID 126065452

IUPAC2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-chloro-2-methylphenyl)acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H19BrCl2N2O3S/c1-15-12-19(25)8-11-21(15)26-22(28)14-27(13-16-2-4-17(23)5-3-16)31(29,30)20-9-6-18(24)7-10-20/h2-12H,13-14H2,1H3,(H,26,28)
InChIKeyOQDVPUFZBKMXJF-UHFFFAOYSA-N
MW542.28 g/mol
LogP5.89
Rot. Bonds7

About 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-chloro-2-methylphenyl)acetamide

2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-chloro-2-methylphenyl)acetamide (PubChem CID 126065452) has the molecular formula C22H19BrCl2N2O3S and a molecular weight of 542.28 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-chloro-2-methylphenyl)acetamide
PubChem CID126065452
Molecular FormulaC22H19BrCl2N2O3S
Molecular Weight542.28 g/mol
Exact Mass539.97
IUPAC Name2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-chloro-2-methylphenyl)acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H19BrCl2N2O3S/c1-15-12-19(25)8-11-21(15)26-22(28)14-27(13-16-2-4-17(23)5-3-16)31(29,30)20-9-6-18(24)7-10-20/h2-12H,13-14H2,1H3,(H,26,28)
InChIKeyOQDVPUFZBKMXJF-UHFFFAOYSA-N
XLogP5.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.28
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-(2,4-dichlorophenyl)acetamide
CID 126096666
2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(4-chloro-2-methylphenyl)acetamide
CID 126371814
N-(4-bromo-2,6-dimethylphenyl)-2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetamide
CID 100797904
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 43872024
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 126095605
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 126083250
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide
CID 126065599
N-(4-chloro-2-methylphenyl)-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 100572306
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2,6-diethylphenyl)acetamide
CID 126325627
2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 23737822
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]acetamide
CID 126066389
2-[(4-bromophenyl)sulfonyl-ethylamino]-N-(2,4-dichlorophenyl)acetamide
CID 3950421

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-chloro-2-methylphenyl)acetamide (CID 126065452) is 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-chloro-2-methylphenyl)acetamide is Cc1cc(Cl)ccc1NC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-chloro-2-methylphenyl)acetamide?
The InChIKey is OQDVPUFZBKMXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrCl2N2O3S/c1-15-12-19(25)8-11-21(15)26-22(28)14-27(13-16-2-4-17(23)5-3-16)31(29,30)20-9-6-18(24)7-10-20/h2-12H,13-14H2,1H3,(H,26,28).
What are the key properties of 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-chloro-2-methylphenyl)acetamide?
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-chloro-2-methylphenyl)acetamide has a molecular weight of 542.28 g/mol, XLogP of 5.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 126065452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).