N-(4-bromo-3-chlorophenyl)-2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide

C22H19Br2ClN2O4S — CID 126342108

IUPACN-(4-bromo-3-chlorophenyl)-2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide
SMILESCCOc1ccc(N(CC(=O)Nc2ccc(Br)c(Cl)c2)S(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C22H19Br2ClN2O4S/c1-2-31-18-8-6-17(7-9-18)27(32(29,30)19-10-3-15(23)4-11-19)14-22(28)26-16-5-12-20(24)21(25)13-16/h3-13H,2,14H2,1H3,(H,26,28)
InChIKeyZJQZWFZLOPGSLR-UHFFFAOYSA-N
MW602.73 g/mol
LogP6.10
Rot. Bonds8

About N-(4-bromo-3-chlorophenyl)-2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide

N-(4-bromo-3-chlorophenyl)-2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide (PubChem CID 126342108) has the molecular formula C22H19Br2ClN2O4S and a molecular weight of 602.73 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide
PubChem CID126342108
Molecular FormulaC22H19Br2ClN2O4S
Molecular Weight602.73 g/mol
Exact Mass599.91
IUPAC NameN-(4-bromo-3-chlorophenyl)-2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide
SMILESCCOc1ccc(N(CC(=O)Nc2ccc(Br)c(Cl)c2)S(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C22H19Br2ClN2O4S/c1-2-31-18-8-6-17(7-9-18)27(32(29,30)19-10-3-15(23)4-11-19)14-22(28)26-16-5-12-20(24)21(25)13-16/h3-13H,2,14H2,1H3,(H,26,28)
InChIKeyZJQZWFZLOPGSLR-UHFFFAOYSA-N
XLogP6.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.73
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-3-chlorophenyl)-2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126256629
2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 1129944
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-(3,4-dimethylphenyl)acetamide
CID 1363400
2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 43891818
N-(4-bromo-3-chlorophenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30270464
ethyl 2-chloro-5-[[2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetyl]amino]benzoate
CID 43905900
2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 126123486
N-(4-chlorophenyl)-2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1372895
ethyl 4-[[2-[N-(benzenesulfonyl)-4-ethoxyanilino]acetyl]amino]-2-chlorobenzoate
CID 92682708
N-(4-bromo-3-chlorophenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 126334264
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylphenyl)acetamide
CID 30171593
N-(4-chlorophenyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 126385893

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide (CID 126342108) is N-(4-bromo-3-chlorophenyl)-2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide is CCOc1ccc(N(CC(=O)Nc2ccc(Br)c(Cl)c2)S(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide?
The InChIKey is ZJQZWFZLOPGSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Br2ClN2O4S/c1-2-31-18-8-6-17(7-9-18)27(32(29,30)19-10-3-15(23)4-11-19)14-22(28)26-16-5-12-20(24)21(25)13-16/h3-13H,2,14H2,1H3,(H,26,28).
What are the key properties of N-(4-bromo-3-chlorophenyl)-2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide?
N-(4-bromo-3-chlorophenyl)-2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide has a molecular weight of 602.73 g/mol, XLogP of 6.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide is sourced from PubChem (CID 126342108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).