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

C24H20N2O6S — CID 25263382

IUPAC2-[[3-(6-methoxyindol-1-yl)sulfonylbenzoyl]amino]-5-methylbenzoic acid
SMILESCOc1ccc2ccn(S(=O)(=O)c3cccc(C(=O)Nc4ccc(C)cc4C(=O)O)c3)c2c1
InChIInChI=1S/C24H20N2O6S/c1-15-6-9-21(20(12-15)24(28)29)25-23(27)17-4-3-5-19(13-17)33(30,31)26-11-10-16-7-8-18(32-2)14-22(16)26/h3-14H,1-2H3,(H,25,27)(H,28,29)
InChIKeyJRLWCVYDISBEGH-UHFFFAOYSA-N
MW464.50 g/mol
LogP4.15
Rot. Bonds6

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

2-[[3-(6-methoxyindol-1-yl)sulfonylbenzoyl]amino]-5-methylbenzoic acid (PubChem CID 25263382) has the molecular formula C24H20N2O6S and a molecular weight of 464.50 g/mol. Its IUPAC name is 2-[[3-(6-methoxyindol-1-yl)sulfonylbenzoyl]amino]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[[3-(6-methoxyindol-1-yl)sulfonylbenzoyl]amino]-5-methylbenzoic acid
PubChem CID25263382
Molecular FormulaC24H20N2O6S
Molecular Weight464.50 g/mol
Exact Mass464.10
IUPAC Name2-[[3-(6-methoxyindol-1-yl)sulfonylbenzoyl]amino]-5-methylbenzoic acid
SMILESCOc1ccc2ccn(S(=O)(=O)c3cccc(C(=O)Nc4ccc(C)cc4C(=O)O)c3)c2c1
InChIInChI=1S/C24H20N2O6S/c1-15-6-9-21(20(12-15)24(28)29)25-23(27)17-4-3-5-19(13-17)33(30,31)26-11-10-16-7-8-18(32-2)14-22(16)26/h3-14H,1-2H3,(H,25,27)(H,28,29)
InChIKeyJRLWCVYDISBEGH-UHFFFAOYSA-N
XLogP4.15
TPSA114.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(6-methoxyindol-1-yl)sulfonylbenzoyl]amino]-5-methylbenzoic acid?
The IUPAC name of 2-[[3-(6-methoxyindol-1-yl)sulfonylbenzoyl]amino]-5-methylbenzoic acid (CID 25263382) is 2-[[3-(6-methoxyindol-1-yl)sulfonylbenzoyl]amino]-5-methylbenzoic acid.
What is the SMILES notation for 2-[[3-(6-methoxyindol-1-yl)sulfonylbenzoyl]amino]-5-methylbenzoic acid?
The canonical SMILES for 2-[[3-(6-methoxyindol-1-yl)sulfonylbenzoyl]amino]-5-methylbenzoic acid is COc1ccc2ccn(S(=O)(=O)c3cccc(C(=O)Nc4ccc(C)cc4C(=O)O)c3)c2c1.
What is the InChIKey of 2-[[3-(6-methoxyindol-1-yl)sulfonylbenzoyl]amino]-5-methylbenzoic acid?
The InChIKey is JRLWCVYDISBEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O6S/c1-15-6-9-21(20(12-15)24(28)29)25-23(27)17-4-3-5-19(13-17)33(30,31)26-11-10-16-7-8-18(32-2)14-22(16)26/h3-14H,1-2H3,(H,25,27)(H,28,29).
What are the key properties of 2-[[3-(6-methoxyindol-1-yl)sulfonylbenzoyl]amino]-5-methylbenzoic acid?
2-[[3-(6-methoxyindol-1-yl)sulfonylbenzoyl]amino]-5-methylbenzoic acid has a molecular weight of 464.50 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(6-methoxyindol-1-yl)sulfonylbenzoyl]amino]-5-methylbenzoic acid is sourced from PubChem (CID 25263382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).