2-[4-[2-[(2,4-dichlorophenyl)sulfonylamino]-4-(ethylcarbamoyl)phenyl]sulfonylphenyl]acetic acid

C23H20Cl2N2O7S2 — CID 59644684

IUPAC2-[4-[2-[(2,4-dichlorophenyl)sulfonylamino]-4-(ethylcarbamoyl)phenyl]sulfonylphenyl]acetic acid
SMILESCCNC(=O)c1ccc(S(=O)(=O)c2ccc(CC(=O)O)cc2)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C23H20Cl2N2O7S2/c1-2-26-23(30)15-5-9-21(35(31,32)17-7-3-14(4-8-17)11-22(28)29)19(12-15)27-36(33,34)20-10-6-16(24)13-18(20)25/h3-10,12-13,27H,2,11H2,1H3,(H,26,30)(H,28,29)
InChIKeyZUMWPAOCQXJCAZ-UHFFFAOYSA-N
MW571.46 g/mol
LogP4.00
Rot. Bonds9

About 2-[4-[2-[(2,4-dichlorophenyl)sulfonylamino]-4-(ethylcarbamoyl)phenyl]sulfonylphenyl]acetic acid

2-[4-[2-[(2,4-dichlorophenyl)sulfonylamino]-4-(ethylcarbamoyl)phenyl]sulfonylphenyl]acetic acid (PubChem CID 59644684) has the molecular formula C23H20Cl2N2O7S2 and a molecular weight of 571.46 g/mol. Its IUPAC name is 2-[4-[2-[(2,4-dichlorophenyl)sulfonylamino]-4-(ethylcarbamoyl)phenyl]sulfonylphenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[(2,4-dichlorophenyl)sulfonylamino]-4-(ethylcarbamoyl)phenyl]sulfonylphenyl]acetic acid
PubChem CID59644684
Molecular FormulaC23H20Cl2N2O7S2
Molecular Weight571.46 g/mol
Exact Mass570.01
IUPAC Name2-[4-[2-[(2,4-dichlorophenyl)sulfonylamino]-4-(ethylcarbamoyl)phenyl]sulfonylphenyl]acetic acid
SMILESCCNC(=O)c1ccc(S(=O)(=O)c2ccc(CC(=O)O)cc2)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C23H20Cl2N2O7S2/c1-2-26-23(30)15-5-9-21(35(31,32)17-7-3-14(4-8-17)11-22(28)29)19(12-15)27-36(33,34)20-10-6-16(24)13-18(20)25/h3-10,12-13,27H,2,11H2,1H3,(H,26,30)(H,28,29)
InChIKeyZUMWPAOCQXJCAZ-UHFFFAOYSA-N
XLogP4.00
TPSA146.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.46
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[4-[2-[(2,4-dichlorophenyl)sulfonylamino]-4-(ethylcarbamoyl)phenyl]sulfonylphenyl]acetic acid with MolForge

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Related Compounds

3-[(2,4-dichlorophenyl)sulfonylamino]-4-[2,6-dimethoxy-4-(2-oxopropyl)phenoxy]-N-ethylbenzamide
CID 70999833
2-[4-[2-[(2,4-dichlorophenyl)sulfonyl-methylamino]-4-(ethylcarbamoyl)phenoxy]phenyl]acetic acid
CID 59644765
2-[3-chloro-4-[4-(cyclopropylcarbamoyl)-2-[(2,4-dichlorophenyl)sulfonylamino]phenoxy]phenyl]acetic acid
CID 57403988
3-acetamido-N-[2-(4-chlorophenyl)ethyl]-4-(4-chlorophenyl)sulfonylbenzamide
CID 3451187
2-[4-[4-(cyclobutylcarbamoyl)-2-[(2,4-dichlorophenyl)sulfonylamino]phenoxy]-3-methoxyphenyl]acetic acid
CID 45486030
3-(butanoylamino)-4-(4-chlorophenyl)sulfonyl-N-[2-(4-methylphenyl)ethyl]benzamide
CID 4048482
2-[3-[2-[[4-(ethylcarbamoyl)-2-methylphenyl]sulfonylamino]phenoxy]phenyl]acetic acid
CID 69488395
3-(butanoylamino)-N-[(2-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonylbenzamide
CID 4576996
2-[3-[(5-chloro-2-fluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 47060143
5-[(5-chloro-3-pyridinyl)oxy]-2-[(2,4-dichlorophenyl)sulfonylamino]-N-ethylbenzamide
CID 59066721
N-[(2,4-dichlorophenyl)methyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062771
3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethyl-4-piperazin-1-ylbenzamide
CID 46333711

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(2,4-dichlorophenyl)sulfonylamino]-4-(ethylcarbamoyl)phenyl]sulfonylphenyl]acetic acid?
The IUPAC name of 2-[4-[2-[(2,4-dichlorophenyl)sulfonylamino]-4-(ethylcarbamoyl)phenyl]sulfonylphenyl]acetic acid (CID 59644684) is 2-[4-[2-[(2,4-dichlorophenyl)sulfonylamino]-4-(ethylcarbamoyl)phenyl]sulfonylphenyl]acetic acid.
What is the SMILES notation for 2-[4-[2-[(2,4-dichlorophenyl)sulfonylamino]-4-(ethylcarbamoyl)phenyl]sulfonylphenyl]acetic acid?
The canonical SMILES for 2-[4-[2-[(2,4-dichlorophenyl)sulfonylamino]-4-(ethylcarbamoyl)phenyl]sulfonylphenyl]acetic acid is CCNC(=O)c1ccc(S(=O)(=O)c2ccc(CC(=O)O)cc2)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2-[4-[2-[(2,4-dichlorophenyl)sulfonylamino]-4-(ethylcarbamoyl)phenyl]sulfonylphenyl]acetic acid?
The InChIKey is ZUMWPAOCQXJCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O7S2/c1-2-26-23(30)15-5-9-21(35(31,32)17-7-3-14(4-8-17)11-22(28)29)19(12-15)27-36(33,34)20-10-6-16(24)13-18(20)25/h3-10,12-13,27H,2,11H2,1H3,(H,26,30)(H,28,29).
What are the key properties of 2-[4-[2-[(2,4-dichlorophenyl)sulfonylamino]-4-(ethylcarbamoyl)phenyl]sulfonylphenyl]acetic acid?
2-[4-[2-[(2,4-dichlorophenyl)sulfonylamino]-4-(ethylcarbamoyl)phenyl]sulfonylphenyl]acetic acid has a molecular weight of 571.46 g/mol, XLogP of 4.00, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(2,4-dichlorophenyl)sulfonylamino]-4-(ethylcarbamoyl)phenyl]sulfonylphenyl]acetic acid is sourced from PubChem (CID 59644684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).