3-[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]benzoic acid

C22H18N2O5S — CID 1238746

IUPAC3-[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)c1
InChIInChI=1S/C22H18N2O5S/c25-21(23-18-8-3-7-17(13-18)22(26)27)16-6-4-9-19(14-16)30(28,29)24-12-11-15-5-1-2-10-20(15)24/h1-10,13-14H,11-12H2,(H,23,25)(H,26,27)
InChIKeyBDJQUMFXFGIMBB-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.39
Rot. Bonds5

About 3-[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]benzoic acid

3-[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]benzoic acid (PubChem CID 1238746) has the molecular formula C22H18N2O5S and a molecular weight of 422.46 g/mol. Its IUPAC name is 3-[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name3-[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]benzoic acid
PubChem CID1238746
Molecular FormulaC22H18N2O5S
Molecular Weight422.46 g/mol
Exact Mass422.09
IUPAC Name3-[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)c1
InChIInChI=1S/C22H18N2O5S/c25-21(23-18-8-3-7-17(13-18)22(26)27)16-6-4-9-19(14-16)30(28,29)24-12-11-15-5-1-2-10-20(15)24/h1-10,13-14H,11-12H2,(H,23,25)(H,26,27)
InChIKeyBDJQUMFXFGIMBB-UHFFFAOYSA-N
XLogP3.39
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]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

Related Compounds

2-(((3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)phenyl)carbonyl)amino)benzoic acid
CID 24941254
2-Hydroxy-6-[(3-methylphenyl)sulfamoyl]quinoline-4-carboxylic acid
CID 2396440
3-[Benzyl(phenyl)sulfamoyl]benzoic acid
CID 2389222
Anthranilic Acid Sulfonamide, 14d
CID 11533183
Besunide
CID 37386
3-{Benzyl[3-(trifluoromethyl)phenyl]sulfamoyl}benzoic acid
CID 2357158
Anthranilic acid deriv., 6
CID 25263362
2-[[1,3-Dioxo-2-[(4-sulfamoylphenyl)methyl]isoindole-5-carbonyl]amino]benzoic acid
CID 127039154
2-[[1,3-Dioxo-2-[2-(4-sulfamoylphenyl)ethyl]isoindole-5-carbonyl]amino]benzoic acid
CID 127039155
2-({4-[(3,5-Dimethylanilino)sulfonyl]anilino}carbonyl)benzoic acid
CID 1013084
3-(3-o-Tolylcarbamoyl-benzenesulfonylamino)-benzoic acid
CID 1069255
4-[3-(1,1,3-Trioxo-1,2-benzothiazol-2-yl)propanoylamino]benzoic acid
CID 1534427

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]benzoic acid?
The IUPAC name of 3-[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]benzoic acid (CID 1238746) is 3-[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]benzoic acid.
What is the SMILES notation for 3-[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]benzoic acid?
The canonical SMILES for 3-[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]benzoic acid is O=C(O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)c1.
What is the InChIKey of 3-[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]benzoic acid?
The InChIKey is BDJQUMFXFGIMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O5S/c25-21(23-18-8-3-7-17(13-18)22(26)27)16-6-4-9-19(14-16)30(28,29)24-12-11-15-5-1-2-10-20(15)24/h1-10,13-14H,11-12H2,(H,23,25)(H,26,27).
What are the key properties of 3-[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]benzoic acid?
3-[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]benzoic acid has a molecular weight of 422.46 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]benzoic acid is sourced from PubChem (CID 1238746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).