4-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethylsulfamoyl]benzoic acid

C24H22N2O5S — CID 24825400

IUPAC4-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethylsulfamoyl]benzoic acid
SMILESCOc1ccc(-c2[nH]c3ccccc3c2CCNS(=O)(=O)c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C24H22N2O5S/c1-31-18-10-6-16(7-11-18)23-21(20-4-2-3-5-22(20)26-23)14-15-25-32(29,30)19-12-8-17(9-13-19)24(27)28/h2-13,25-26H,14-15H2,1H3,(H,27,28)
InChIKeyDBXIYNXFYNFMHA-UHFFFAOYSA-N
MW450.52 g/mol
LogP4.06
Rot. Bonds8

About 4-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethylsulfamoyl]benzoic acid

4-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethylsulfamoyl]benzoic acid (PubChem CID 24825400) has the molecular formula C24H22N2O5S and a molecular weight of 450.52 g/mol. Its IUPAC name is 4-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethylsulfamoyl]benzoic acid
PubChem CID24825400
Molecular FormulaC24H22N2O5S
Molecular Weight450.52 g/mol
Exact Mass450.12
IUPAC Name4-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethylsulfamoyl]benzoic acid
SMILESCOc1ccc(-c2[nH]c3ccccc3c2CCNS(=O)(=O)c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C24H22N2O5S/c1-31-18-10-6-16(7-11-18)23-21(20-4-2-3-5-22(20)26-23)14-15-25-32(29,30)19-12-8-17(9-13-19)24(27)28/h2-13,25-26H,14-15H2,1H3,(H,27,28)
InChIKeyDBXIYNXFYNFMHA-UHFFFAOYSA-N
XLogP4.06
TPSA108.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethylsulfamoyl]benzoic 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 4-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethylsulfamoyl]benzoic acid?
The IUPAC name of 4-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethylsulfamoyl]benzoic acid (CID 24825400) is 4-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethylsulfamoyl]benzoic acid.
What is the SMILES notation for 4-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethylsulfamoyl]benzoic acid?
The canonical SMILES for 4-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethylsulfamoyl]benzoic acid is COc1ccc(-c2[nH]c3ccccc3c2CCNS(=O)(=O)c2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethylsulfamoyl]benzoic acid?
The InChIKey is DBXIYNXFYNFMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5S/c1-31-18-10-6-16(7-11-18)23-21(20-4-2-3-5-22(20)26-23)14-15-25-32(29,30)19-12-8-17(9-13-19)24(27)28/h2-13,25-26H,14-15H2,1H3,(H,27,28).
What are the key properties of 4-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethylsulfamoyl]benzoic acid?
4-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethylsulfamoyl]benzoic acid has a molecular weight of 450.52 g/mol, XLogP of 4.06, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethylsulfamoyl]benzoic acid is sourced from PubChem (CID 24825400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).