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

C23H17ClN2O6S — CID 25263387

IUPAC5-chloro-2-[[3-(5-methoxyindol-1-yl)sulfonylbenzoyl]amino]benzoic acid
SMILESCOc1ccc2c(ccn2S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3C(=O)O)c2)c1
InChIInChI=1S/C23H17ClN2O6S/c1-32-17-6-8-21-14(11-17)9-10-26(21)33(30,31)18-4-2-3-15(12-18)22(27)25-20-7-5-16(24)13-19(20)23(28)29/h2-13H,1H3,(H,25,27)(H,28,29)
InChIKeyKUARAUXPEGUHNO-UHFFFAOYSA-N
MW484.92 g/mol
LogP4.49
Rot. Bonds6

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

5-chloro-2-[[3-(5-methoxyindol-1-yl)sulfonylbenzoyl]amino]benzoic acid (PubChem CID 25263387) has the molecular formula C23H17ClN2O6S and a molecular weight of 484.92 g/mol. Its IUPAC name is 5-chloro-2-[[3-(5-methoxyindol-1-yl)sulfonylbenzoyl]amino]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-[[3-(5-methoxyindol-1-yl)sulfonylbenzoyl]amino]benzoic acid
PubChem CID25263387
Molecular FormulaC23H17ClN2O6S
Molecular Weight484.92 g/mol
Exact Mass484.05
IUPAC Name5-chloro-2-[[3-(5-methoxyindol-1-yl)sulfonylbenzoyl]amino]benzoic acid
SMILESCOc1ccc2c(ccn2S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3C(=O)O)c2)c1
InChIInChI=1S/C23H17ClN2O6S/c1-32-17-6-8-21-14(11-17)9-10-26(21)33(30,31)18-4-2-3-15(12-18)22(27)25-20-7-5-16(24)13-19(20)23(28)29/h2-13H,1H3,(H,25,27)(H,28,29)
InChIKeyKUARAUXPEGUHNO-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-(5-methoxyindol-1-yl)sulfonylbenzoyl]amino]benzoic acid?
The IUPAC name of 5-chloro-2-[[3-(5-methoxyindol-1-yl)sulfonylbenzoyl]amino]benzoic acid (CID 25263387) is 5-chloro-2-[[3-(5-methoxyindol-1-yl)sulfonylbenzoyl]amino]benzoic acid.
What is the SMILES notation for 5-chloro-2-[[3-(5-methoxyindol-1-yl)sulfonylbenzoyl]amino]benzoic acid?
The canonical SMILES for 5-chloro-2-[[3-(5-methoxyindol-1-yl)sulfonylbenzoyl]amino]benzoic acid is COc1ccc2c(ccn2S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3C(=O)O)c2)c1.
What is the InChIKey of 5-chloro-2-[[3-(5-methoxyindol-1-yl)sulfonylbenzoyl]amino]benzoic acid?
The InChIKey is KUARAUXPEGUHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O6S/c1-32-17-6-8-21-14(11-17)9-10-26(21)33(30,31)18-4-2-3-15(12-18)22(27)25-20-7-5-16(24)13-19(20)23(28)29/h2-13H,1H3,(H,25,27)(H,28,29).
What are the key properties of 5-chloro-2-[[3-(5-methoxyindol-1-yl)sulfonylbenzoyl]amino]benzoic acid?
5-chloro-2-[[3-(5-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-(5-methoxyindol-1-yl)sulfonylbenzoyl]amino]benzoic acid is sourced from PubChem (CID 25263387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).