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

C24H20N2O6S — CID 25263379

IUPAC2-[[3-(5-methoxyindol-1-yl)sulfonylbenzoyl]amino]-5-methylbenzoic acid
SMILESCOc1ccc2c(ccn2S(=O)(=O)c2cccc(C(=O)Nc3ccc(C)cc3C(=O)O)c2)c1
InChIInChI=1S/C24H20N2O6S/c1-15-6-8-21(20(12-15)24(28)29)25-23(27)17-4-3-5-19(14-17)33(30,31)26-11-10-16-13-18(32-2)7-9-22(16)26/h3-14H,1-2H3,(H,25,27)(H,28,29)
InChIKeyDTNIANXGKLQTIF-UHFFFAOYSA-N
MW464.50 g/mol
LogP4.15
Rot. Bonds6

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

2-[[3-(5-methoxyindol-1-yl)sulfonylbenzoyl]amino]-5-methylbenzoic acid (PubChem CID 25263379) has the molecular formula C24H20N2O6S and a molecular weight of 464.50 g/mol. Its IUPAC name is 2-[[3-(5-methoxyindol-1-yl)sulfonylbenzoyl]amino]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[[3-(5-methoxyindol-1-yl)sulfonylbenzoyl]amino]-5-methylbenzoic acid
PubChem CID25263379
Molecular FormulaC24H20N2O6S
Molecular Weight464.50 g/mol
Exact Mass464.10
IUPAC Name2-[[3-(5-methoxyindol-1-yl)sulfonylbenzoyl]amino]-5-methylbenzoic acid
SMILESCOc1ccc2c(ccn2S(=O)(=O)c2cccc(C(=O)Nc3ccc(C)cc3C(=O)O)c2)c1
InChIInChI=1S/C24H20N2O6S/c1-15-6-8-21(20(12-15)24(28)29)25-23(27)17-4-3-5-19(14-17)33(30,31)26-11-10-16-13-18(32-2)7-9-22(16)26/h3-14H,1-2H3,(H,25,27)(H,28,29)
InChIKeyDTNIANXGKLQTIF-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

Masilukast
CID 204056
Indeglitazar
CID 11395145
LTD4 antagonist 1
CID 9986282
cyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]-1-methylindol-5-yl]carbamate
CID 14626814
N-[3-(4-Benzenesulfonylaminocarbonyl-2-methoxy-benzyl)-1-methyl-1H-indol-5-yl]-2-cyclopentyl-acetamide
CID 14626819
cyclopentyl N-[1-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]indol-6-yl]carbamate
CID 14753014
N-(4-[6-(2-cyclopentylacetamido)indol-1-ylmethyl]-3-methoxybenzoyl)benzenesulphonamide
CID 14753021
cyclopentyl N-[3-acetyl-1-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]indol-6-yl]carbamate
CID 15013740
N-(benzenesulfonyl)-4-[[3-butanoyl-6-[(2-cyclopentylacetyl)amino]indol-1-yl]methyl]-3-methoxybenzamide
CID 15013741
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

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(5-methoxyindol-1-yl)sulfonylbenzoyl]amino]-5-methylbenzoic acid?
The IUPAC name of 2-[[3-(5-methoxyindol-1-yl)sulfonylbenzoyl]amino]-5-methylbenzoic acid (CID 25263379) is 2-[[3-(5-methoxyindol-1-yl)sulfonylbenzoyl]amino]-5-methylbenzoic acid.
What is the SMILES notation for 2-[[3-(5-methoxyindol-1-yl)sulfonylbenzoyl]amino]-5-methylbenzoic acid?
The canonical SMILES for 2-[[3-(5-methoxyindol-1-yl)sulfonylbenzoyl]amino]-5-methylbenzoic acid is COc1ccc2c(ccn2S(=O)(=O)c2cccc(C(=O)Nc3ccc(C)cc3C(=O)O)c2)c1.
What is the InChIKey of 2-[[3-(5-methoxyindol-1-yl)sulfonylbenzoyl]amino]-5-methylbenzoic acid?
The InChIKey is DTNIANXGKLQTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O6S/c1-15-6-8-21(20(12-15)24(28)29)25-23(27)17-4-3-5-19(14-17)33(30,31)26-11-10-16-13-18(32-2)7-9-22(16)26/h3-14H,1-2H3,(H,25,27)(H,28,29).
What are the key properties of 2-[[3-(5-methoxyindol-1-yl)sulfonylbenzoyl]amino]-5-methylbenzoic acid?
2-[[3-(5-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-(5-methoxyindol-1-yl)sulfonylbenzoyl]amino]-5-methylbenzoic acid is sourced from PubChem (CID 25263379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).