2-[N-(2-chlorophenyl)sulfonyl-3-[2-(4-cyanophenyl)ethoxy]anilino]acetic acid

C23H19ClN2O5S — CID 22033484

IUPAC2-[N-(2-chlorophenyl)sulfonyl-3-[2-(4-cyanophenyl)ethoxy]anilino]acetic acid
SMILESN#Cc1ccc(CCOc2cccc(N(CC(=O)O)S(=O)(=O)c3ccccc3Cl)c2)cc1
InChIInChI=1S/C23H19ClN2O5S/c24-21-6-1-2-7-22(21)32(29,30)26(16-23(27)28)19-4-3-5-20(14-19)31-13-12-17-8-10-18(15-25)11-9-17/h1-11,14H,12-13,16H2,(H,27,28)
InChIKeyBHZGXLJVUJPCEM-UHFFFAOYSA-N
MW470.93 g/mol
LogP4.11
Rot. Bonds9

About 2-[N-(2-chlorophenyl)sulfonyl-3-[2-(4-cyanophenyl)ethoxy]anilino]acetic acid

2-[N-(2-chlorophenyl)sulfonyl-3-[2-(4-cyanophenyl)ethoxy]anilino]acetic acid (PubChem CID 22033484) has the molecular formula C23H19ClN2O5S and a molecular weight of 470.93 g/mol. Its IUPAC name is 2-[N-(2-chlorophenyl)sulfonyl-3-[2-(4-cyanophenyl)ethoxy]anilino]acetic acid.

Molecular Properties

Compound Name2-[N-(2-chlorophenyl)sulfonyl-3-[2-(4-cyanophenyl)ethoxy]anilino]acetic acid
PubChem CID22033484
Molecular FormulaC23H19ClN2O5S
Molecular Weight470.93 g/mol
Exact Mass470.07
IUPAC Name2-[N-(2-chlorophenyl)sulfonyl-3-[2-(4-cyanophenyl)ethoxy]anilino]acetic acid
SMILESN#Cc1ccc(CCOc2cccc(N(CC(=O)O)S(=O)(=O)c3ccccc3Cl)c2)cc1
InChIInChI=1S/C23H19ClN2O5S/c24-21-6-1-2-7-22(21)32(29,30)26(16-23(27)28)19-4-3-5-20(14-19)31-13-12-17-8-10-18(15-25)11-9-17/h1-11,14H,12-13,16H2,(H,27,28)
InChIKeyBHZGXLJVUJPCEM-UHFFFAOYSA-N
XLogP4.11
TPSA107.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.93
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-(2-chlorophenyl)sulfonylanilino)acetic acid
CID 1486714
2-[3-[2-(4-carbamimidoylphenyl)ethoxy]-N-methylanilino]-N-(2-chlorophenyl)sulfonylacetamide
CID 54324120
2-[N-(benzenesulfonyl)-3-prop-2-enoxyanilino]acetic acid
CID 50894797
N-[2-(3-chlorophenoxy)ethyl]-3-(4-cyanophenyl)-N-methylpropanamide
CID 31949619
5-[3-[2-(4-carbamimidoylphenyl)ethoxy]-N-[(2-chlorophenyl)sulfonylmethyl]anilino]pentanamide
CID 54331713
2-(3-ethoxy-N-naphthalen-2-ylsulfonylanilino)acetic acid
CID 100535124
4-[3-[2-(4-carbamimidoylphenyl)ethoxy]-N-(2-chlorophenyl)sulfonyl-5-methylanilino]pentanoic acid
CID 22033462
3-[5-(4-cyanophenoxy)pentoxy]-N-phenyl-N-propan-2-ylbenzamide
CID 57300714
3-(4-cyanophenoxy)-5-(2-phenylethoxy)benzoic acid
CID 66818728
3-(4-cyanophenyl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 31949840
4-chloro-N-methyl-N-(2-phenoxyethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 31213510
[3-[2-(4-cyanophenyl)ethoxy]-5-methylphenyl] benzenesulfonate
CID 22033541

Frequently Asked Questions

What is the IUPAC name of 2-[N-(2-chlorophenyl)sulfonyl-3-[2-(4-cyanophenyl)ethoxy]anilino]acetic acid?
The IUPAC name of 2-[N-(2-chlorophenyl)sulfonyl-3-[2-(4-cyanophenyl)ethoxy]anilino]acetic acid (CID 22033484) is 2-[N-(2-chlorophenyl)sulfonyl-3-[2-(4-cyanophenyl)ethoxy]anilino]acetic acid.
What is the SMILES notation for 2-[N-(2-chlorophenyl)sulfonyl-3-[2-(4-cyanophenyl)ethoxy]anilino]acetic acid?
The canonical SMILES for 2-[N-(2-chlorophenyl)sulfonyl-3-[2-(4-cyanophenyl)ethoxy]anilino]acetic acid is N#Cc1ccc(CCOc2cccc(N(CC(=O)O)S(=O)(=O)c3ccccc3Cl)c2)cc1.
What is the InChIKey of 2-[N-(2-chlorophenyl)sulfonyl-3-[2-(4-cyanophenyl)ethoxy]anilino]acetic acid?
The InChIKey is BHZGXLJVUJPCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O5S/c24-21-6-1-2-7-22(21)32(29,30)26(16-23(27)28)19-4-3-5-20(14-19)31-13-12-17-8-10-18(15-25)11-9-17/h1-11,14H,12-13,16H2,(H,27,28).
What are the key properties of 2-[N-(2-chlorophenyl)sulfonyl-3-[2-(4-cyanophenyl)ethoxy]anilino]acetic acid?
2-[N-(2-chlorophenyl)sulfonyl-3-[2-(4-cyanophenyl)ethoxy]anilino]acetic acid has a molecular weight of 470.93 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2-chlorophenyl)sulfonyl-3-[2-(4-cyanophenyl)ethoxy]anilino]acetic acid is sourced from PubChem (CID 22033484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).