5-chloro-2-[[3-(6-methoxyindol-1-yl)sulfonylbenzoyl]amino]benzoic acid

C23H17ClN2O6S — CID 25263388

IUPAC5-chloro-2-[[3-(6-methoxyindol-1-yl)sulfonylbenzoyl]amino]benzoic acid
SMILESCOc1ccc2ccn(S(=O)(=O)c3cccc(C(=O)Nc4ccc(Cl)cc4C(=O)O)c3)c2c1
InChIInChI=1S/C23H17ClN2O6S/c1-32-17-7-5-14-9-10-26(21(14)13-17)33(30,31)18-4-2-3-15(11-18)22(27)25-20-8-6-16(24)12-19(20)23(28)29/h2-13H,1H3,(H,25,27)(H,28,29)
InChIKeyPUJGLMYFIYRHIV-UHFFFAOYSA-N
MW484.92 g/mol
LogP4.49
Rot. Bonds6

About 5-chloro-2-[[3-(6-methoxyindol-1-yl)sulfonylbenzoyl]amino]benzoic acid

5-chloro-2-[[3-(6-methoxyindol-1-yl)sulfonylbenzoyl]amino]benzoic acid (PubChem CID 25263388) has the molecular formula C23H17ClN2O6S and a molecular weight of 484.92 g/mol. Its IUPAC name is 5-chloro-2-[[3-(6-methoxyindol-1-yl)sulfonylbenzoyl]amino]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-[[3-(6-methoxyindol-1-yl)sulfonylbenzoyl]amino]benzoic acid
PubChem CID25263388
Molecular FormulaC23H17ClN2O6S
Molecular Weight484.92 g/mol
Exact Mass484.05
IUPAC Name5-chloro-2-[[3-(6-methoxyindol-1-yl)sulfonylbenzoyl]amino]benzoic acid
SMILESCOc1ccc2ccn(S(=O)(=O)c3cccc(C(=O)Nc4ccc(Cl)cc4C(=O)O)c3)c2c1
InChIInChI=1S/C23H17ClN2O6S/c1-32-17-7-5-14-9-10-26(21(14)13-17)33(30,31)18-4-2-3-15(11-18)22(27)25-20-8-6-16(24)12-19(20)23(28)29/h2-13H,1H3,(H,25,27)(H,28,29)
InChIKeyPUJGLMYFIYRHIV-UHFFFAOYSA-N
XLogP4.49
TPSA114.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.92
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[3-(6-methoxyindol-1-yl)sulfonylbenzoyl]amino]benzoic acid?
The IUPAC name of 5-chloro-2-[[3-(6-methoxyindol-1-yl)sulfonylbenzoyl]amino]benzoic acid (CID 25263388) is 5-chloro-2-[[3-(6-methoxyindol-1-yl)sulfonylbenzoyl]amino]benzoic acid.
What is the SMILES notation for 5-chloro-2-[[3-(6-methoxyindol-1-yl)sulfonylbenzoyl]amino]benzoic acid?
The canonical SMILES for 5-chloro-2-[[3-(6-methoxyindol-1-yl)sulfonylbenzoyl]amino]benzoic acid is COc1ccc2ccn(S(=O)(=O)c3cccc(C(=O)Nc4ccc(Cl)cc4C(=O)O)c3)c2c1.
What is the InChIKey of 5-chloro-2-[[3-(6-methoxyindol-1-yl)sulfonylbenzoyl]amino]benzoic acid?
The InChIKey is PUJGLMYFIYRHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O6S/c1-32-17-7-5-14-9-10-26(21(14)13-17)33(30,31)18-4-2-3-15(11-18)22(27)25-20-8-6-16(24)12-19(20)23(28)29/h2-13H,1H3,(H,25,27)(H,28,29).
What are the key properties of 5-chloro-2-[[3-(6-methoxyindol-1-yl)sulfonylbenzoyl]amino]benzoic acid?
5-chloro-2-[[3-(6-methoxyindol-1-yl)sulfonylbenzoyl]amino]benzoic acid has a molecular weight of 484.92 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[3-(6-methoxyindol-1-yl)sulfonylbenzoyl]amino]benzoic acid is sourced from PubChem (CID 25263388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).