2-[[3-(4-methoxyindol-1-yl)sulfonylbenzoyl]amino]-5-methylbenzoic acid

C24H20N2O6S — CID 25263376

IUPAC2-[[3-(4-methoxyindol-1-yl)sulfonylbenzoyl]amino]-5-methylbenzoic acid
SMILESCOc1cccc2c1ccn2S(=O)(=O)c1cccc(C(=O)Nc2ccc(C)cc2C(=O)O)c1
InChIInChI=1S/C24H20N2O6S/c1-15-9-10-20(19(13-15)24(28)29)25-23(27)16-5-3-6-17(14-16)33(30,31)26-12-11-18-21(26)7-4-8-22(18)32-2/h3-14H,1-2H3,(H,25,27)(H,28,29)
InChIKeyMYZSZLVGIKQBME-UHFFFAOYSA-N
MW464.50 g/mol
LogP4.15
Rot. Bonds6

About 2-[[3-(4-methoxyindol-1-yl)sulfonylbenzoyl]amino]-5-methylbenzoic acid

2-[[3-(4-methoxyindol-1-yl)sulfonylbenzoyl]amino]-5-methylbenzoic acid (PubChem CID 25263376) has the molecular formula C24H20N2O6S and a molecular weight of 464.50 g/mol. Its IUPAC name is 2-[[3-(4-methoxyindol-1-yl)sulfonylbenzoyl]amino]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[[3-(4-methoxyindol-1-yl)sulfonylbenzoyl]amino]-5-methylbenzoic acid
PubChem CID25263376
Molecular FormulaC24H20N2O6S
Molecular Weight464.50 g/mol
Exact Mass464.10
IUPAC Name2-[[3-(4-methoxyindol-1-yl)sulfonylbenzoyl]amino]-5-methylbenzoic acid
SMILESCOc1cccc2c1ccn2S(=O)(=O)c1cccc(C(=O)Nc2ccc(C)cc2C(=O)O)c1
InChIInChI=1S/C24H20N2O6S/c1-15-9-10-20(19(13-15)24(28)29)25-23(27)16-5-3-6-17(14-16)33(30,31)26-12-11-18-21(26)7-4-8-22(18)32-2/h3-14H,1-2H3,(H,25,27)(H,28,29)
InChIKeyMYZSZLVGIKQBME-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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Related Compounds

Benzoic acid, 2-((3-((5-methoxy-4-methyl-1H-indol-1-yl)sulfonyl)benzoyl)amino)-5-methyl-
CID 25211876
Anthranilic acid deriv., 36
CID 25211877
Anthranilic acid deriv., 20
CID 25263374
Anthranilic acid deriv., 23
CID 25263377
Anthranilic acid deriv., 25
CID 25263379
Anthranilic acid deriv., 26
CID 25263380
Anthranilic acid deriv., 28
CID 25263382
Anthranilic acid deriv., 29
CID 25263383
Anthranilic acid deriv., 31
CID 25263385
Anthranilic acid deriv., 33
CID 25263386
Anthranilic acid deriv., 34
CID 25263387
Anthranilic acid deriv., 35
CID 25263388

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-methoxyindol-1-yl)sulfonylbenzoyl]amino]-5-methylbenzoic acid?
The IUPAC name of 2-[[3-(4-methoxyindol-1-yl)sulfonylbenzoyl]amino]-5-methylbenzoic acid (CID 25263376) is 2-[[3-(4-methoxyindol-1-yl)sulfonylbenzoyl]amino]-5-methylbenzoic acid.
What is the SMILES notation for 2-[[3-(4-methoxyindol-1-yl)sulfonylbenzoyl]amino]-5-methylbenzoic acid?
The canonical SMILES for 2-[[3-(4-methoxyindol-1-yl)sulfonylbenzoyl]amino]-5-methylbenzoic acid is COc1cccc2c1ccn2S(=O)(=O)c1cccc(C(=O)Nc2ccc(C)cc2C(=O)O)c1.
What is the InChIKey of 2-[[3-(4-methoxyindol-1-yl)sulfonylbenzoyl]amino]-5-methylbenzoic acid?
The InChIKey is MYZSZLVGIKQBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O6S/c1-15-9-10-20(19(13-15)24(28)29)25-23(27)16-5-3-6-17(14-16)33(30,31)26-12-11-18-21(26)7-4-8-22(18)32-2/h3-14H,1-2H3,(H,25,27)(H,28,29).
What are the key properties of 2-[[3-(4-methoxyindol-1-yl)sulfonylbenzoyl]amino]-5-methylbenzoic acid?
2-[[3-(4-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-(4-methoxyindol-1-yl)sulfonylbenzoyl]amino]-5-methylbenzoic acid is sourced from PubChem (CID 25263376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).