2-(2-bromo-4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide

C21H16BrCl2NO5S — CID 19220025

IUPAC2-(2-bromo-4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(N(C(=O)COc2ccc(Cl)cc2Br)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H16BrCl2NO5S/c1-29-17-7-5-16(6-8-17)25(31(27,28)18-9-2-14(23)3-10-18)21(26)13-30-20-11-4-15(24)12-19(20)22/h2-12H,13H2,1H3
InChIKeyPWCOQNNRIXSING-UHFFFAOYSA-N
MW545.24 g/mol
LogP5.57
Rot. Bonds7

About 2-(2-bromo-4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide

2-(2-bromo-4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide (PubChem CID 19220025) has the molecular formula C21H16BrCl2NO5S and a molecular weight of 545.24 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
PubChem CID19220025
Molecular FormulaC21H16BrCl2NO5S
Molecular Weight545.24 g/mol
Exact Mass542.93
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(N(C(=O)COc2ccc(Cl)cc2Br)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H16BrCl2NO5S/c1-29-17-7-5-16(6-8-17)25(31(27,28)18-9-2-14(23)3-10-18)21(26)13-30-20-11-4-15(24)12-19(20)22/h2-12H,13H2,1H3
InChIKeyPWCOQNNRIXSING-UHFFFAOYSA-N
XLogP5.57
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.24
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-bromo-4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)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-(2-bromo-4-propylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 19219952
2-(4-bromo-3-methylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 19217990
N-(benzenesulfonyl)-2-(2,4-dibromophenoxy)-N-(4-methoxyphenyl)acetamide
CID 19217315
N-(benzenesulfonyl)-2-(2-bromo-4-chlorophenoxy)-N-(4-methylphenyl)acetamide
CID 19220017
N-(benzenesulfonyl)-2-(2,5-dichlorophenoxy)-N-(4-methoxyphenyl)acetamide
CID 19217653
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 19217451
N-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenoxy)-N-(4-methoxyphenyl)acetamide
CID 19219172
2-(2-tert-butyl-4-methylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 19217723
N-(benzenesulfonyl)-2-(2-bromo-4-ethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 19219983
2-(2-tert-butylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 19217758
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 19219911
N-(4-chlorophenyl)sulfonyl-2-(2,4-dimethylphenoxy)-N-(4-ethoxyphenyl)acetamide
CID 19218128

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide (CID 19220025) is 2-(2-bromo-4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide is COc1ccc(N(C(=O)COc2ccc(Cl)cc2Br)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide?
The InChIKey is PWCOQNNRIXSING-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrCl2NO5S/c1-29-17-7-5-16(6-8-17)25(31(27,28)18-9-2-14(23)3-10-18)21(26)13-30-20-11-4-15(24)12-19(20)22/h2-12H,13H2,1H3.
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide?
2-(2-bromo-4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide has a molecular weight of 545.24 g/mol, XLogP of 5.57, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 19220025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).