ethyl 2-(4-bromo-N-(4-bromophenyl)sulfonyl-2-chloroanilino)acetate

C16H14Br2ClNO4S — CID 50893261

IUPACethyl 2-(4-bromo-N-(4-bromophenyl)sulfonyl-2-chloroanilino)acetate
SMILESCCOC(=O)CN(c1ccc(Br)cc1Cl)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H14Br2ClNO4S/c1-2-24-16(21)10-20(15-8-5-12(18)9-14(15)19)25(22,23)13-6-3-11(17)4-7-13/h3-9H,2,10H2,1H3
InChIKeyLVLWEUMCHJNXRD-UHFFFAOYSA-N
MW511.62 g/mol
LogP4.62
Rot. Bonds6

About ethyl 2-(4-bromo-N-(4-bromophenyl)sulfonyl-2-chloroanilino)acetate

ethyl 2-(4-bromo-N-(4-bromophenyl)sulfonyl-2-chloroanilino)acetate (PubChem CID 50893261) has the molecular formula C16H14Br2ClNO4S and a molecular weight of 511.62 g/mol. Its IUPAC name is ethyl 2-(4-bromo-N-(4-bromophenyl)sulfonyl-2-chloroanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(4-bromo-N-(4-bromophenyl)sulfonyl-2-chloroanilino)acetate
PubChem CID50893261
Molecular FormulaC16H14Br2ClNO4S
Molecular Weight511.62 g/mol
Exact Mass508.87
IUPAC Nameethyl 2-(4-bromo-N-(4-bromophenyl)sulfonyl-2-chloroanilino)acetate
SMILESCCOC(=O)CN(c1ccc(Br)cc1Cl)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H14Br2ClNO4S/c1-2-24-16(21)10-20(15-8-5-12(18)9-14(15)19)25(22,23)13-6-3-11(17)4-7-13/h3-9H,2,10H2,1H3
InChIKeyLVLWEUMCHJNXRD-UHFFFAOYSA-N
XLogP4.62
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.62
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(4-bromo-N-(4-bromophenyl)sulfonyl-2-chloroanilino)acetate 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

ethyl 2-(2,4-dichloro-N-(4-chlorophenyl)sulfonylanilino)acetate
CID 50892167
ethyl 2-(2,4-dichloro-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50892222
ethyl 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50890829
ethyl 2-(N-(4-chlorophenyl)sulfonyl-2,4-difluoroanilino)acetate
CID 50892875
ethyl 2-(N-(4-bromophenyl)sulfonyl-4-iodoanilino)acetate
CID 50891070
2-(N-(4-bromophenyl)sulfonyl-2,4-dichloroanilino)acetic acid
CID 50892250
ethyl 2-(4-chloro-N-(4-fluorophenyl)sulfonyl-2-methylanilino)acetate
CID 100503333
2-(N-(4-acetamidophenyl)sulfonyl-4-bromo-2-chloroanilino)acetyl chloride
CID 50889349
ethyl 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50895722
2-(N-(4-bromophenyl)sulfonyl-2,4,5-trichloroanilino)acetamide
CID 50895749
ethyl 2-[(4-bromo-2-chlorophenyl)sulfonyl-ethylamino]acetate
CID 61012131
ethyl 2-(N-(4-bromo-2-chlorophenyl)sulfonyl-4-fluoroanilino)acetate
CID 60579266

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-bromo-N-(4-bromophenyl)sulfonyl-2-chloroanilino)acetate?
The IUPAC name of ethyl 2-(4-bromo-N-(4-bromophenyl)sulfonyl-2-chloroanilino)acetate (CID 50893261) is ethyl 2-(4-bromo-N-(4-bromophenyl)sulfonyl-2-chloroanilino)acetate.
What is the SMILES notation for ethyl 2-(4-bromo-N-(4-bromophenyl)sulfonyl-2-chloroanilino)acetate?
The canonical SMILES for ethyl 2-(4-bromo-N-(4-bromophenyl)sulfonyl-2-chloroanilino)acetate is CCOC(=O)CN(c1ccc(Br)cc1Cl)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of ethyl 2-(4-bromo-N-(4-bromophenyl)sulfonyl-2-chloroanilino)acetate?
The InChIKey is LVLWEUMCHJNXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2ClNO4S/c1-2-24-16(21)10-20(15-8-5-12(18)9-14(15)19)25(22,23)13-6-3-11(17)4-7-13/h3-9H,2,10H2,1H3.
What are the key properties of ethyl 2-(4-bromo-N-(4-bromophenyl)sulfonyl-2-chloroanilino)acetate?
ethyl 2-(4-bromo-N-(4-bromophenyl)sulfonyl-2-chloroanilino)acetate has a molecular weight of 511.62 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-bromo-N-(4-bromophenyl)sulfonyl-2-chloroanilino)acetate is sourced from PubChem (CID 50893261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).