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

C22H20BrClN2O4S — CID 1362950

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(2-bromophenyl)-2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetamide
SMILESCCOc1ccc(N(CC(=O)Nc2ccccc2Br)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H20BrClN2O4S/c1-2-30-18-11-9-17(10-12-18)26(31(28,29)19-13-7-16(24)8-14-19)15-22(27)25-21-6-4-3-5-20(21)23/h3-14H,2,15H2,1H3,(H,25,27)
InChIKeyVSDJGMGSSKBEMY-UHFFFAOYSA-N
MW523.84 g/mol
LogP5.34
Rot. Bonds8

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

N-(2-bromophenyl)-2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetamide (PubChem CID 1362950) has the molecular formula C22H20BrClN2O4S and a molecular weight of 523.84 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetamide
PubChem CID1362950
Molecular FormulaC22H20BrClN2O4S
Molecular Weight523.84 g/mol
Exact Mass522.00
IUPAC NameN-(2-bromophenyl)-2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetamide
SMILESCCOc1ccc(N(CC(=O)Nc2ccccc2Br)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H20BrClN2O4S/c1-2-30-18-11-9-17(10-12-18)26(31(28,29)19-13-7-16(24)8-14-19)15-22(27)25-21-6-4-3-5-20(21)23/h3-14H,2,15H2,1H3,(H,25,27)
InChIKeyVSDJGMGSSKBEMY-UHFFFAOYSA-N
XLogP5.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.84
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetamide (CID 1362950) is N-(2-bromophenyl)-2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetamide is CCOc1ccc(N(CC(=O)Nc2ccccc2Br)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(2-bromophenyl)-2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetamide?
The InChIKey is VSDJGMGSSKBEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrClN2O4S/c1-2-30-18-11-9-17(10-12-18)26(31(28,29)19-13-7-16(24)8-14-19)15-22(27)25-21-6-4-3-5-20(21)23/h3-14H,2,15H2,1H3,(H,25,27).
What are the key properties of N-(2-bromophenyl)-2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetamide?
N-(2-bromophenyl)-2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetamide has a molecular weight of 523.84 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetamide is sourced from PubChem (CID 1362950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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