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

C23H20Cl2N2O6S — CID 45486026

IUPAC2-[4-[2-[(2,4-dichlorophenyl)sulfonylamino]-4-(ethylcarbamoyl)phenoxy]phenyl]acetic acid
SMILESCCNC(=O)c1ccc(Oc2ccc(CC(=O)O)cc2)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C23H20Cl2N2O6S/c1-2-26-23(30)15-5-9-20(33-17-7-3-14(4-8-17)11-22(28)29)19(12-15)27-34(31,32)21-10-6-16(24)13-18(21)25/h3-10,12-13,27H,2,11H2,1H3,(H,26,30)(H,28,29)
InChIKeyWEQHAGSJVKBREZ-UHFFFAOYSA-N
MW523.39 g/mol
LogP4.96
Rot. Bonds9

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

2-[4-[2-[(2,4-dichlorophenyl)sulfonylamino]-4-(ethylcarbamoyl)phenoxy]phenyl]acetic acid (PubChem CID 45486026) has the molecular formula C23H20Cl2N2O6S and a molecular weight of 523.39 g/mol. Its IUPAC name is 2-[4-[2-[(2,4-dichlorophenyl)sulfonylamino]-4-(ethylcarbamoyl)phenoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[(2,4-dichlorophenyl)sulfonylamino]-4-(ethylcarbamoyl)phenoxy]phenyl]acetic acid
PubChem CID45486026
Molecular FormulaC23H20Cl2N2O6S
Molecular Weight523.39 g/mol
Exact Mass522.04
IUPAC Name2-[4-[2-[(2,4-dichlorophenyl)sulfonylamino]-4-(ethylcarbamoyl)phenoxy]phenyl]acetic acid
SMILESCCNC(=O)c1ccc(Oc2ccc(CC(=O)O)cc2)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C23H20Cl2N2O6S/c1-2-26-23(30)15-5-9-20(33-17-7-3-14(4-8-17)11-22(28)29)19(12-15)27-34(31,32)21-10-6-16(24)13-18(21)25/h3-10,12-13,27H,2,11H2,1H3,(H,26,30)(H,28,29)
InChIKeyWEQHAGSJVKBREZ-UHFFFAOYSA-N
XLogP4.96
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.39
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

Vidupiprant
CID 42641863
Amg-009
CID 10483360
2-(4-(2-(2,4-Dichlorophenylsulfonamido)-4-(ethylcarbamoyl)phenoxy)-3,5-dimethoxyphenyl)acetic acid
CID 9985715
(4-[2-(2,4-Dichloro-benzenesulfonyl-amino)-4-ethylcarbamoyl-phenoxy]-3-methoxy-phenyl)-acetic acid
CID 9872340
2-[4-[4-(Tert-butylcarbamoyl)-2-[[2-chloro-4-(trifluoromethoxy)phenyl]sulfonylamino]phenoxy]-5-chloro-2-fluorophenyl]acetic acid
CID 44128594
2-(3-Chloro-5-(2-(4-chlorophenylsulfonamido)-4-(ethylcarbamoyl)phenoxy)phenyl)acetic acid
CID 45486015
2-(4-(2-(2,4-Dichlorophenylsulfonamido)-4-(ethylcarbamoyl)phenoxy)phenyl)propanoic acid
CID 45486025
2-(3-(4-(Ethylcarbamoyl)-2-(4-methylphenylsulfonamido)phenoxy)phenyl)acetic acid
CID 45486052
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 4-chloro-3-(diethylsulfamoyl)benzoate
CID 2373691
2-[4-[4-(Butylcarbamoyl)-2-[(4-chlorophenyl)sulfonylamino]phenoxy]-3-methoxyphenyl]acetic acid
CID 10098978
2-[4-[2-[(2,4-Dichlorophenyl)sulfonylamino]-4-(pentylcarbamoyl)phenoxy]-3-methoxyphenyl]acetic acid
CID 45486009
2-[4-[4-(Cyclopropylcarbamoyl)-2-[(2,4-dichlorophenyl)sulfonylamino]phenoxy]-3-methoxyphenyl]acetic acid
CID 45486021

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(2,4-dichlorophenyl)sulfonylamino]-4-(ethylcarbamoyl)phenoxy]phenyl]acetic acid?
The IUPAC name of 2-[4-[2-[(2,4-dichlorophenyl)sulfonylamino]-4-(ethylcarbamoyl)phenoxy]phenyl]acetic acid (CID 45486026) is 2-[4-[2-[(2,4-dichlorophenyl)sulfonylamino]-4-(ethylcarbamoyl)phenoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[2-[(2,4-dichlorophenyl)sulfonylamino]-4-(ethylcarbamoyl)phenoxy]phenyl]acetic acid?
The canonical SMILES for 2-[4-[2-[(2,4-dichlorophenyl)sulfonylamino]-4-(ethylcarbamoyl)phenoxy]phenyl]acetic acid is CCNC(=O)c1ccc(Oc2ccc(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)phenoxy]phenyl]acetic acid?
The InChIKey is WEQHAGSJVKBREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O6S/c1-2-26-23(30)15-5-9-20(33-17-7-3-14(4-8-17)11-22(28)29)19(12-15)27-34(31,32)21-10-6-16(24)13-18(21)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)phenoxy]phenyl]acetic acid?
2-[4-[2-[(2,4-dichlorophenyl)sulfonylamino]-4-(ethylcarbamoyl)phenoxy]phenyl]acetic acid has a molecular weight of 523.39 g/mol, XLogP of 4.96, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(2,4-dichlorophenyl)sulfonylamino]-4-(ethylcarbamoyl)phenoxy]phenyl]acetic acid is sourced from PubChem (CID 45486026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).