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

C23H17ClN2O6S — CID 25263386

IUPAC5-chloro-2-[[3-(4-methoxyindol-1-yl)sulfonylbenzoyl]amino]benzoic acid
SMILESCOc1cccc2c1ccn2S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2C(=O)O)c1
InChIInChI=1S/C23H17ClN2O6S/c1-32-21-7-3-6-20-17(21)10-11-26(20)33(30,31)16-5-2-4-14(12-16)22(27)25-19-9-8-15(24)13-18(19)23(28)29/h2-13H,1H3,(H,25,27)(H,28,29)
InChIKeyHQBVBZCJMBAXAQ-UHFFFAOYSA-N
MW484.92 g/mol
LogP4.49
Rot. Bonds6

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

5-chloro-2-[[3-(4-methoxyindol-1-yl)sulfonylbenzoyl]amino]benzoic acid (PubChem CID 25263386) has the molecular formula C23H17ClN2O6S and a molecular weight of 484.92 g/mol. Its IUPAC name is 5-chloro-2-[[3-(4-methoxyindol-1-yl)sulfonylbenzoyl]amino]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-[[3-(4-methoxyindol-1-yl)sulfonylbenzoyl]amino]benzoic acid
PubChem CID25263386
Molecular FormulaC23H17ClN2O6S
Molecular Weight484.92 g/mol
Exact Mass484.05
IUPAC Name5-chloro-2-[[3-(4-methoxyindol-1-yl)sulfonylbenzoyl]amino]benzoic acid
SMILESCOc1cccc2c1ccn2S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2C(=O)O)c1
InChIInChI=1S/C23H17ClN2O6S/c1-32-21-7-3-6-20-17(21)10-11-26(20)33(30,31)16-5-2-4-14(12-16)22(27)25-19-9-8-15(24)13-18(19)23(28)29/h2-13H,1H3,(H,25,27)(H,28,29)
InChIKeyHQBVBZCJMBAXAQ-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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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., 22
CID 25263376
Anthranilic acid deriv., 24
CID 25263378
Anthranilic acid deriv., 25
CID 25263379
Anthranilic acid deriv., 28
CID 25263382
Anthranilic acid deriv., 31
CID 25263385
Anthranilic acid deriv., 34
CID 25263387
Anthranilic acid deriv., 35
CID 25263388
Methyl 4-[[2-[1-(benzenesulfonyl)indol-4-yl]oxyethylamino]methyl]benzoate
CID 164611615
(4-{[1-(5-Chloro-2-methoxy-benzenesulfonyl)-1H-indole-6-carbonyl]-amino}-phenyl)-acetic acid
CID 24962348
1-[(5-Chloro-2-methoxyphenyl)methyl]-6-(phenylcarbamoyl)indole-3-carboxylic acid
CID 118738173

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[3-(4-methoxyindol-1-yl)sulfonylbenzoyl]amino]benzoic acid?
The IUPAC name of 5-chloro-2-[[3-(4-methoxyindol-1-yl)sulfonylbenzoyl]amino]benzoic acid (CID 25263386) is 5-chloro-2-[[3-(4-methoxyindol-1-yl)sulfonylbenzoyl]amino]benzoic acid.
What is the SMILES notation for 5-chloro-2-[[3-(4-methoxyindol-1-yl)sulfonylbenzoyl]amino]benzoic acid?
The canonical SMILES for 5-chloro-2-[[3-(4-methoxyindol-1-yl)sulfonylbenzoyl]amino]benzoic acid is COc1cccc2c1ccn2S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2C(=O)O)c1.
What is the InChIKey of 5-chloro-2-[[3-(4-methoxyindol-1-yl)sulfonylbenzoyl]amino]benzoic acid?
The InChIKey is HQBVBZCJMBAXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O6S/c1-32-21-7-3-6-20-17(21)10-11-26(20)33(30,31)16-5-2-4-14(12-16)22(27)25-19-9-8-15(24)13-18(19)23(28)29/h2-13H,1H3,(H,25,27)(H,28,29).
What are the key properties of 5-chloro-2-[[3-(4-methoxyindol-1-yl)sulfonylbenzoyl]amino]benzoic acid?
5-chloro-2-[[3-(4-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-(4-methoxyindol-1-yl)sulfonylbenzoyl]amino]benzoic acid is sourced from PubChem (CID 25263386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).