2-[3-(4-chlorophenoxy)-4-(ethylsulfonylamino)-2-methylindol-1-yl]acetic acid

C19H19ClN2O5S — CID 11495505

IUPAC2-[3-(4-chlorophenoxy)-4-(ethylsulfonylamino)-2-methylindol-1-yl]acetic acid
SMILESCCS(=O)(=O)Nc1cccc2c1c(Oc1ccc(Cl)cc1)c(C)n2CC(=O)O
InChIInChI=1S/C19H19ClN2O5S/c1-3-28(25,26)21-15-5-4-6-16-18(15)19(12(2)22(16)11-17(23)24)27-14-9-7-13(20)8-10-14/h4-10,21H,3,11H2,1-2H3,(H,23,24)
InChIKeyCMGUAOOJGFBGME-UHFFFAOYSA-N
MW422.89 g/mol
LogP4.24
Rot. Bonds7

About 2-[3-(4-chlorophenoxy)-4-(ethylsulfonylamino)-2-methylindol-1-yl]acetic acid

2-[3-(4-chlorophenoxy)-4-(ethylsulfonylamino)-2-methylindol-1-yl]acetic acid (PubChem CID 11495505) has the molecular formula C19H19ClN2O5S and a molecular weight of 422.89 g/mol. Its IUPAC name is 2-[3-(4-chlorophenoxy)-4-(ethylsulfonylamino)-2-methylindol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-chlorophenoxy)-4-(ethylsulfonylamino)-2-methylindol-1-yl]acetic acid
PubChem CID11495505
Molecular FormulaC19H19ClN2O5S
Molecular Weight422.89 g/mol
Exact Mass422.07
IUPAC Name2-[3-(4-chlorophenoxy)-4-(ethylsulfonylamino)-2-methylindol-1-yl]acetic acid
SMILESCCS(=O)(=O)Nc1cccc2c1c(Oc1ccc(Cl)cc1)c(C)n2CC(=O)O
InChIInChI=1S/C19H19ClN2O5S/c1-3-28(25,26)21-15-5-4-6-16-18(15)19(12(2)22(16)11-17(23)24)27-14-9-7-13(20)8-10-14/h4-10,21H,3,11H2,1-2H3,(H,23,24)
InChIKeyCMGUAOOJGFBGME-UHFFFAOYSA-N
XLogP4.24
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.89
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-(4-chlorophenoxy)-4-(ethylsulfonylamino)-2-methylindol-1-yl]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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenoxy)-4-(ethylsulfonylamino)-2-methylindol-1-yl]acetic acid?
The IUPAC name of 2-[3-(4-chlorophenoxy)-4-(ethylsulfonylamino)-2-methylindol-1-yl]acetic acid (CID 11495505) is 2-[3-(4-chlorophenoxy)-4-(ethylsulfonylamino)-2-methylindol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(4-chlorophenoxy)-4-(ethylsulfonylamino)-2-methylindol-1-yl]acetic acid?
The canonical SMILES for 2-[3-(4-chlorophenoxy)-4-(ethylsulfonylamino)-2-methylindol-1-yl]acetic acid is CCS(=O)(=O)Nc1cccc2c1c(Oc1ccc(Cl)cc1)c(C)n2CC(=O)O.
What is the InChIKey of 2-[3-(4-chlorophenoxy)-4-(ethylsulfonylamino)-2-methylindol-1-yl]acetic acid?
The InChIKey is CMGUAOOJGFBGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O5S/c1-3-28(25,26)21-15-5-4-6-16-18(15)19(12(2)22(16)11-17(23)24)27-14-9-7-13(20)8-10-14/h4-10,21H,3,11H2,1-2H3,(H,23,24).
What are the key properties of 2-[3-(4-chlorophenoxy)-4-(ethylsulfonylamino)-2-methylindol-1-yl]acetic acid?
2-[3-(4-chlorophenoxy)-4-(ethylsulfonylamino)-2-methylindol-1-yl]acetic acid has a molecular weight of 422.89 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenoxy)-4-(ethylsulfonylamino)-2-methylindol-1-yl]acetic acid is sourced from PubChem (CID 11495505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).