4-[[1-(5-chloro-2-methoxyphenyl)sulfonyl-2,3-dihydroindole-6-carbonyl]amino]benzoic acid

C23H19ClN2O6S — CID 15984085

IUPAC4-[[1-(5-chloro-2-methoxyphenyl)sulfonyl-2,3-dihydroindole-6-carbonyl]amino]benzoic acid
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCc2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc21
InChIInChI=1S/C23H19ClN2O6S/c1-32-20-9-6-17(24)13-21(20)33(30,31)26-11-10-14-2-3-16(12-19(14)26)22(27)25-18-7-4-15(5-8-18)23(28)29/h2-9,12-13H,10-11H2,1H3,(H,25,27)(H,28,29)
InChIKeySPZKHICEEDMLAD-UHFFFAOYSA-N
MW486.93 g/mol
LogP4.05
Rot. Bonds6

About 4-[[1-(5-chloro-2-methoxyphenyl)sulfonyl-2,3-dihydroindole-6-carbonyl]amino]benzoic acid

4-[[1-(5-chloro-2-methoxyphenyl)sulfonyl-2,3-dihydroindole-6-carbonyl]amino]benzoic acid (PubChem CID 15984085) has the molecular formula C23H19ClN2O6S and a molecular weight of 486.93 g/mol. Its IUPAC name is 4-[[1-(5-chloro-2-methoxyphenyl)sulfonyl-2,3-dihydroindole-6-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[1-(5-chloro-2-methoxyphenyl)sulfonyl-2,3-dihydroindole-6-carbonyl]amino]benzoic acid
PubChem CID15984085
Molecular FormulaC23H19ClN2O6S
Molecular Weight486.93 g/mol
Exact Mass486.07
IUPAC Name4-[[1-(5-chloro-2-methoxyphenyl)sulfonyl-2,3-dihydroindole-6-carbonyl]amino]benzoic acid
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCc2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc21
InChIInChI=1S/C23H19ClN2O6S/c1-32-20-9-6-17(24)13-21(20)33(30,31)26-11-10-14-2-3-16(12-19(14)26)22(27)25-18-7-4-15(5-8-18)23(28)29/h2-9,12-13H,10-11H2,1H3,(H,25,27)(H,28,29)
InChIKeySPZKHICEEDMLAD-UHFFFAOYSA-N
XLogP4.05
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.93
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[1-(5-chloro-2-methoxyphenyl)sulfonyl-2,3-dihydroindole-6-carbonyl]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

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(5-chloro-2-methoxyphenyl)sulfonyl-2,3-dihydroindole-6-carbonyl]amino]benzoic acid?
The IUPAC name of 4-[[1-(5-chloro-2-methoxyphenyl)sulfonyl-2,3-dihydroindole-6-carbonyl]amino]benzoic acid (CID 15984085) is 4-[[1-(5-chloro-2-methoxyphenyl)sulfonyl-2,3-dihydroindole-6-carbonyl]amino]benzoic acid.
What is the SMILES notation for 4-[[1-(5-chloro-2-methoxyphenyl)sulfonyl-2,3-dihydroindole-6-carbonyl]amino]benzoic acid?
The canonical SMILES for 4-[[1-(5-chloro-2-methoxyphenyl)sulfonyl-2,3-dihydroindole-6-carbonyl]amino]benzoic acid is COc1ccc(Cl)cc1S(=O)(=O)N1CCc2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc21.
What is the InChIKey of 4-[[1-(5-chloro-2-methoxyphenyl)sulfonyl-2,3-dihydroindole-6-carbonyl]amino]benzoic acid?
The InChIKey is SPZKHICEEDMLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O6S/c1-32-20-9-6-17(24)13-21(20)33(30,31)26-11-10-14-2-3-16(12-19(14)26)22(27)25-18-7-4-15(5-8-18)23(28)29/h2-9,12-13H,10-11H2,1H3,(H,25,27)(H,28,29).
What are the key properties of 4-[[1-(5-chloro-2-methoxyphenyl)sulfonyl-2,3-dihydroindole-6-carbonyl]amino]benzoic acid?
4-[[1-(5-chloro-2-methoxyphenyl)sulfonyl-2,3-dihydroindole-6-carbonyl]amino]benzoic acid has a molecular weight of 486.93 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(5-chloro-2-methoxyphenyl)sulfonyl-2,3-dihydroindole-6-carbonyl]amino]benzoic acid is sourced from PubChem (CID 15984085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).