2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetic acid

C16H14Cl2N2O5S — CID 50889512

IUPAC2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C16H14Cl2N2O5S/c1-10(21)19-11-5-7-12(8-6-11)26(24,25)20(9-15(22)23)14-4-2-3-13(17)16(14)18/h2-8H,9H2,1H3,(H,19,21)(H,22,23)
InChIKeyINTWBTFSRMKXSR-UHFFFAOYSA-N
MW417.27 g/mol
LogP3.23
Rot. Bonds6

About 2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetic acid

2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetic acid (PubChem CID 50889512) has the molecular formula C16H14Cl2N2O5S and a molecular weight of 417.27 g/mol. Its IUPAC name is 2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetic acid.

Molecular Properties

Compound Name2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetic acid
PubChem CID50889512
Molecular FormulaC16H14Cl2N2O5S
Molecular Weight417.27 g/mol
Exact Mass416.00
IUPAC Name2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C16H14Cl2N2O5S/c1-10(21)19-11-5-7-12(8-6-11)26(24,25)20(9-15(22)23)14-4-2-3-13(17)16(14)18/h2-8H,9H2,1H3,(H,19,21)(H,22,23)
InChIKeyINTWBTFSRMKXSR-UHFFFAOYSA-N
XLogP3.23
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.27
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-(4-acetamidophenyl)sulfonyl-2,6-dichloroanilino)acetic acid
CID 50889394
ethyl 2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetate
CID 50889406
2-(2,3-dichloro-N-(4-nitrophenyl)sulfonylanilino)acetic acid
CID 100529092
N-[4-[(2,3-dichlorophenyl)-methylsulfamoyl]phenyl]acetamide
CID 100500965
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(4-ethylphenyl)acetamide
CID 1298612
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-methylacetamide
CID 555613
2-(N-(4-acetamidophenyl)sulfonyl-2-chloro-5-nitroanilino)acetic acid
CID 50889737
2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl chloride
CID 50892343
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 43907663
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]-methylamino]ethyl]-N-methylacetamide
CID 21212091
2-(N-(4-bromophenyl)sulfonyl-3-chloro-2-methylanilino)acetic acid
CID 50895830
4-chloro-N-(2,3-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50892150

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetic acid?
The IUPAC name of 2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetic acid (CID 50889512) is 2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetic acid.
What is the SMILES notation for 2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetic acid?
The canonical SMILES for 2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetic acid is CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc(Cl)c2Cl)cc1.
What is the InChIKey of 2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetic acid?
The InChIKey is INTWBTFSRMKXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O5S/c1-10(21)19-11-5-7-12(8-6-11)26(24,25)20(9-15(22)23)14-4-2-3-13(17)16(14)18/h2-8H,9H2,1H3,(H,19,21)(H,22,23).
What are the key properties of 2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetic acid?
2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetic acid has a molecular weight of 417.27 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetic acid is sourced from PubChem (CID 50889512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).