2-[[5-chloro-1-(4-methoxyphenyl)sulfonylindol-2-yl]methoxy]-2-methylpropanoic acid

C20H20ClNO6S — CID 68677378

IUPAC2-[[5-chloro-1-(4-methoxyphenyl)sulfonylindol-2-yl]methoxy]-2-methylpropanoic acid
SMILESCOc1ccc(S(=O)(=O)n2c(COC(C)(C)C(=O)O)cc3cc(Cl)ccc32)cc1
InChIInChI=1S/C20H20ClNO6S/c1-20(2,19(23)24)28-12-15-11-13-10-14(21)4-9-18(13)22(15)29(25,26)17-7-5-16(27-3)6-8-17/h4-11H,12H2,1-3H3,(H,23,24)
InChIKeyVXISZRLNWLJZBL-UHFFFAOYSA-N
MW437.90 g/mol
LogP3.92
Rot. Bonds7

About 2-[[5-chloro-1-(4-methoxyphenyl)sulfonylindol-2-yl]methoxy]-2-methylpropanoic acid

2-[[5-chloro-1-(4-methoxyphenyl)sulfonylindol-2-yl]methoxy]-2-methylpropanoic acid (PubChem CID 68677378) has the molecular formula C20H20ClNO6S and a molecular weight of 437.90 g/mol. Its IUPAC name is 2-[[5-chloro-1-(4-methoxyphenyl)sulfonylindol-2-yl]methoxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[5-chloro-1-(4-methoxyphenyl)sulfonylindol-2-yl]methoxy]-2-methylpropanoic acid
PubChem CID68677378
Molecular FormulaC20H20ClNO6S
Molecular Weight437.90 g/mol
Exact Mass437.07
IUPAC Name2-[[5-chloro-1-(4-methoxyphenyl)sulfonylindol-2-yl]methoxy]-2-methylpropanoic acid
SMILESCOc1ccc(S(=O)(=O)n2c(COC(C)(C)C(=O)O)cc3cc(Cl)ccc32)cc1
InChIInChI=1S/C20H20ClNO6S/c1-20(2,19(23)24)28-12-15-11-13-10-14(21)4-9-18(13)22(15)29(25,26)17-7-5-16(27-3)6-8-17/h4-11H,12H2,1-3H3,(H,23,24)
InChIKeyVXISZRLNWLJZBL-UHFFFAOYSA-N
XLogP3.92
TPSA94.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.90
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[5-chloro-1-(4-methoxyphenyl)sulfonylindol-2-yl]methoxy]-2-methylpropanoic 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-[[5-chloro-1-(4-methoxyphenyl)sulfonylindol-2-yl]methoxy]-2-methylpropanoic acid?
The IUPAC name of 2-[[5-chloro-1-(4-methoxyphenyl)sulfonylindol-2-yl]methoxy]-2-methylpropanoic acid (CID 68677378) is 2-[[5-chloro-1-(4-methoxyphenyl)sulfonylindol-2-yl]methoxy]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[5-chloro-1-(4-methoxyphenyl)sulfonylindol-2-yl]methoxy]-2-methylpropanoic acid?
The canonical SMILES for 2-[[5-chloro-1-(4-methoxyphenyl)sulfonylindol-2-yl]methoxy]-2-methylpropanoic acid is COc1ccc(S(=O)(=O)n2c(COC(C)(C)C(=O)O)cc3cc(Cl)ccc32)cc1.
What is the InChIKey of 2-[[5-chloro-1-(4-methoxyphenyl)sulfonylindol-2-yl]methoxy]-2-methylpropanoic acid?
The InChIKey is VXISZRLNWLJZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO6S/c1-20(2,19(23)24)28-12-15-11-13-10-14(21)4-9-18(13)22(15)29(25,26)17-7-5-16(27-3)6-8-17/h4-11H,12H2,1-3H3,(H,23,24).
What are the key properties of 2-[[5-chloro-1-(4-methoxyphenyl)sulfonylindol-2-yl]methoxy]-2-methylpropanoic acid?
2-[[5-chloro-1-(4-methoxyphenyl)sulfonylindol-2-yl]methoxy]-2-methylpropanoic acid has a molecular weight of 437.90 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-1-(4-methoxyphenyl)sulfonylindol-2-yl]methoxy]-2-methylpropanoic acid is sourced from PubChem (CID 68677378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).