2-[4-[[4-[(2,4-dichlorophenyl)sulfonylamino]-7-fluoro-2-methyl-1H-indol-5-yl]oxy]-3-methoxyphenyl]acetic acid

C24H19Cl2FN2O6S — CID 59864790

IUPAC2-[4-[[4-[(2,4-dichlorophenyl)sulfonylamino]-7-fluoro-2-methyl-1H-indol-5-yl]oxy]-3-methoxyphenyl]acetic acid
SMILESCOc1cc(CC(=O)O)ccc1Oc1cc(F)c2[nH]c(C)cc2c1NS(=O)(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C24H19Cl2FN2O6S/c1-12-7-15-23(28-12)17(27)11-20(35-18-5-3-13(9-22(30)31)8-19(18)34-2)24(15)29-36(32,33)21-6-4-14(25)10-16(21)26/h3-8,10-11,28-29H,9H2,1-2H3,(H,30,31)
InChIKeyJVBRBZNZARRXBR-UHFFFAOYSA-N
MW553.40 g/mol
LogP6.15
Rot. Bonds8

About 2-[4-[[4-[(2,4-dichlorophenyl)sulfonylamino]-7-fluoro-2-methyl-1H-indol-5-yl]oxy]-3-methoxyphenyl]acetic acid

2-[4-[[4-[(2,4-dichlorophenyl)sulfonylamino]-7-fluoro-2-methyl-1H-indol-5-yl]oxy]-3-methoxyphenyl]acetic acid (PubChem CID 59864790) has the molecular formula C24H19Cl2FN2O6S and a molecular weight of 553.40 g/mol. Its IUPAC name is 2-[4-[[4-[(2,4-dichlorophenyl)sulfonylamino]-7-fluoro-2-methyl-1H-indol-5-yl]oxy]-3-methoxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[4-[(2,4-dichlorophenyl)sulfonylamino]-7-fluoro-2-methyl-1H-indol-5-yl]oxy]-3-methoxyphenyl]acetic acid
PubChem CID59864790
Molecular FormulaC24H19Cl2FN2O6S
Molecular Weight553.40 g/mol
Exact Mass552.03
IUPAC Name2-[4-[[4-[(2,4-dichlorophenyl)sulfonylamino]-7-fluoro-2-methyl-1H-indol-5-yl]oxy]-3-methoxyphenyl]acetic acid
SMILESCOc1cc(CC(=O)O)ccc1Oc1cc(F)c2[nH]c(C)cc2c1NS(=O)(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C24H19Cl2FN2O6S/c1-12-7-15-23(28-12)17(27)11-20(35-18-5-3-13(9-22(30)31)8-19(18)34-2)24(15)29-36(32,33)21-6-4-14(25)10-16(21)26/h3-8,10-11,28-29H,9H2,1-2H3,(H,30,31)
InChIKeyJVBRBZNZARRXBR-UHFFFAOYSA-N
XLogP6.15
TPSA117.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.40
LogP ≤ 56.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[4-[(2,4-dichlorophenyl)sulfonylamino]-7-fluoro-2-methyl-1H-indol-5-yl]oxy]-3-methoxyphenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[4-(cyclobutylcarbamoyl)-2-[(2,4-dichlorophenyl)sulfonylamino]phenoxy]-3-methoxyphenyl]acetic acid
CID 45486030
2-[3-[(5-chloro-2-fluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 47060143
2-[4-[[4-[(2-ethyl-4-methylphenyl)sulfonylamino]-2-(trifluoromethyl)-1H-indol-5-yl]oxy]-3-methoxyphenyl]acetic acid
CID 162585322
2-[3-[(3,4-difluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 47060127
2-[3-[(4-fluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 56816264
2-[3-[(2,5-difluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 47060124
2-[3-[(3-fluoro-4-methylphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 47060132
2-[3-chloro-4-[4-(cyclopropylcarbamoyl)-2-[(2,4-dichlorophenyl)sulfonylamino]phenoxy]phenyl]acetic acid
CID 57403988
N-[(2,4-dichlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9045958
3-[(2,4-dichlorophenyl)sulfonylamino]-4-[2,6-dimethoxy-4-(2-oxopropyl)phenoxy]-N-ethylbenzamide
CID 70999833
2-[3-[(2-ethyl-6-methylphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 47072178
2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]acetic acid
CID 176513648

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[(2,4-dichlorophenyl)sulfonylamino]-7-fluoro-2-methyl-1H-indol-5-yl]oxy]-3-methoxyphenyl]acetic acid?
The IUPAC name of 2-[4-[[4-[(2,4-dichlorophenyl)sulfonylamino]-7-fluoro-2-methyl-1H-indol-5-yl]oxy]-3-methoxyphenyl]acetic acid (CID 59864790) is 2-[4-[[4-[(2,4-dichlorophenyl)sulfonylamino]-7-fluoro-2-methyl-1H-indol-5-yl]oxy]-3-methoxyphenyl]acetic acid.
What is the SMILES notation for 2-[4-[[4-[(2,4-dichlorophenyl)sulfonylamino]-7-fluoro-2-methyl-1H-indol-5-yl]oxy]-3-methoxyphenyl]acetic acid?
The canonical SMILES for 2-[4-[[4-[(2,4-dichlorophenyl)sulfonylamino]-7-fluoro-2-methyl-1H-indol-5-yl]oxy]-3-methoxyphenyl]acetic acid is COc1cc(CC(=O)O)ccc1Oc1cc(F)c2[nH]c(C)cc2c1NS(=O)(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[4-[[4-[(2,4-dichlorophenyl)sulfonylamino]-7-fluoro-2-methyl-1H-indol-5-yl]oxy]-3-methoxyphenyl]acetic acid?
The InChIKey is JVBRBZNZARRXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2FN2O6S/c1-12-7-15-23(28-12)17(27)11-20(35-18-5-3-13(9-22(30)31)8-19(18)34-2)24(15)29-36(32,33)21-6-4-14(25)10-16(21)26/h3-8,10-11,28-29H,9H2,1-2H3,(H,30,31).
What are the key properties of 2-[4-[[4-[(2,4-dichlorophenyl)sulfonylamino]-7-fluoro-2-methyl-1H-indol-5-yl]oxy]-3-methoxyphenyl]acetic acid?
2-[4-[[4-[(2,4-dichlorophenyl)sulfonylamino]-7-fluoro-2-methyl-1H-indol-5-yl]oxy]-3-methoxyphenyl]acetic acid has a molecular weight of 553.40 g/mol, XLogP of 6.15, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[(2,4-dichlorophenyl)sulfonylamino]-7-fluoro-2-methyl-1H-indol-5-yl]oxy]-3-methoxyphenyl]acetic acid is sourced from PubChem (CID 59864790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).