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

C24H19ClN2O6S — CID 25211877

IUPAC5-chloro-2-[[3-(5-methoxy-4-methylindol-1-yl)sulfonylbenzoyl]amino]benzoic acid
SMILESCOc1ccc2c(ccn2S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3C(=O)O)c2)c1C
InChIInChI=1S/C24H19ClN2O6S/c1-14-18-10-11-27(21(18)8-9-22(14)33-2)34(31,32)17-5-3-4-15(12-17)23(28)26-20-7-6-16(25)13-19(20)24(29)30/h3-13H,1-2H3,(H,26,28)(H,29,30)
InChIKeyRSMCCEMRGNFJPV-UHFFFAOYSA-N
MW498.94 g/mol
LogP4.80
Rot. Bonds6

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

5-chloro-2-[[3-(5-methoxy-4-methylindol-1-yl)sulfonylbenzoyl]amino]benzoic acid (PubChem CID 25211877) has the molecular formula C24H19ClN2O6S and a molecular weight of 498.94 g/mol. Its IUPAC name is 5-chloro-2-[[3-(5-methoxy-4-methylindol-1-yl)sulfonylbenzoyl]amino]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-[[3-(5-methoxy-4-methylindol-1-yl)sulfonylbenzoyl]amino]benzoic acid
PubChem CID25211877
Molecular FormulaC24H19ClN2O6S
Molecular Weight498.94 g/mol
Exact Mass498.07
IUPAC Name5-chloro-2-[[3-(5-methoxy-4-methylindol-1-yl)sulfonylbenzoyl]amino]benzoic acid
SMILESCOc1ccc2c(ccn2S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3C(=O)O)c2)c1C
InChIInChI=1S/C24H19ClN2O6S/c1-14-18-10-11-27(21(18)8-9-22(14)33-2)34(31,32)17-5-3-4-15(12-17)23(28)26-20-7-6-16(25)13-19(20)24(29)30/h3-13H,1-2H3,(H,26,28)(H,29,30)
InChIKeyRSMCCEMRGNFJPV-UHFFFAOYSA-N
XLogP4.80
TPSA114.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.94
LogP ≤ 54.80
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., 22
CID 25263376
Anthranilic acid deriv., 25
CID 25263379
Anthranilic acid deriv., 28
CID 25263382
Anthranilic acid deriv., 31
CID 25263385
Anthranilic acid deriv., 33
CID 25263386
Anthranilic acid deriv., 34
CID 25263387
Anthranilic acid deriv., 35
CID 25263388
N-(2-chlorophenyl)sulfonyl-4-[[5-[(2-cyclopentylacetyl)amino]-1-methylindol-3-yl]methyl]-3-methoxybenzamide
CID 14626860
cyclopentyl N-[3-[[4-[(3-chlorophenyl)sulfonylcarbamoyl]-2-methoxyphenyl]methyl]-1-methylindol-5-yl]carbamate
CID 145979664
3-[[5-methoxy-3-[(Z)-(2-oxo-5-sulfamoyl-1H-indol-3-ylidene)methyl]indol-1-yl]methyl]benzoic acid
CID 44336168
1-[[4-[(2-chlorophenyl)sulfonylcarbamoyl]-2-methoxyphenyl]methyl]-N-(2-ethylbutyl)-3-methylindole-6-carboxamide
CID 44353314

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[3-(5-methoxy-4-methylindol-1-yl)sulfonylbenzoyl]amino]benzoic acid?
The IUPAC name of 5-chloro-2-[[3-(5-methoxy-4-methylindol-1-yl)sulfonylbenzoyl]amino]benzoic acid (CID 25211877) is 5-chloro-2-[[3-(5-methoxy-4-methylindol-1-yl)sulfonylbenzoyl]amino]benzoic acid.
What is the SMILES notation for 5-chloro-2-[[3-(5-methoxy-4-methylindol-1-yl)sulfonylbenzoyl]amino]benzoic acid?
The canonical SMILES for 5-chloro-2-[[3-(5-methoxy-4-methylindol-1-yl)sulfonylbenzoyl]amino]benzoic acid is COc1ccc2c(ccn2S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3C(=O)O)c2)c1C.
What is the InChIKey of 5-chloro-2-[[3-(5-methoxy-4-methylindol-1-yl)sulfonylbenzoyl]amino]benzoic acid?
The InChIKey is RSMCCEMRGNFJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O6S/c1-14-18-10-11-27(21(18)8-9-22(14)33-2)34(31,32)17-5-3-4-15(12-17)23(28)26-20-7-6-16(25)13-19(20)24(29)30/h3-13H,1-2H3,(H,26,28)(H,29,30).
What are the key properties of 5-chloro-2-[[3-(5-methoxy-4-methylindol-1-yl)sulfonylbenzoyl]amino]benzoic acid?
5-chloro-2-[[3-(5-methoxy-4-methylindol-1-yl)sulfonylbenzoyl]amino]benzoic acid has a molecular weight of 498.94 g/mol, XLogP of 4.80, 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-methoxy-4-methylindol-1-yl)sulfonylbenzoyl]amino]benzoic acid is sourced from PubChem (CID 25211877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).