methyl 2-[[2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]acetyl]amino]benzoate

C24H21ClN2O6S — CID 126396064

IUPACmethyl 2-[[2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl
InChIInChI=1S/C24H21ClN2O6S/c1-32-24(29)18-7-3-4-8-20(18)26-23(28)15-33-22-11-10-17(14-19(22)25)34(30,31)27-13-12-16-6-2-5-9-21(16)27/h2-11,14H,12-13,15H2,1H3,(H,26,28)
InChIKeyODQYMTMRBZAYAJ-UHFFFAOYSA-N
MW500.96 g/mol
LogP3.90
Rot. Bonds7

About methyl 2-[[2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]acetyl]amino]benzoate

methyl 2-[[2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]acetyl]amino]benzoate (PubChem CID 126396064) has the molecular formula C24H21ClN2O6S and a molecular weight of 500.96 g/mol. Its IUPAC name is methyl 2-[[2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]acetyl]amino]benzoate
PubChem CID126396064
Molecular FormulaC24H21ClN2O6S
Molecular Weight500.96 g/mol
Exact Mass500.08
IUPAC Namemethyl 2-[[2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl
InChIInChI=1S/C24H21ClN2O6S/c1-32-24(29)18-7-3-4-8-20(18)26-23(28)15-33-22-11-10-17(14-19(22)25)34(30,31)27-13-12-16-6-2-5-9-21(16)27/h2-11,14H,12-13,15H2,1H3,(H,26,28)
InChIKeyODQYMTMRBZAYAJ-UHFFFAOYSA-N
XLogP3.90
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.96
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]acetyl]amino]benzoate with MolForge

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Related Compounds

2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(2,6-diethylphenyl)acetamide
CID 126394310
2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-cyclohexylacetamide
CID 6491405
2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(3-hydroxypropyl)acetamide
CID 126396862
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate
CID 3942504
2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 28555911
1-(3-chloro-4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 974280
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate
CID 2403689
2-(2,4-dichlorophenoxy)-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]acetamide
CID 17321201
2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 133239020
2-(2,4-dibromophenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 1013039
methyl 2-[[2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate
CID 126387998
2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 17189506

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]acetyl]amino]benzoate (CID 126396064) is methyl 2-[[2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl.
What is the InChIKey of methyl 2-[[2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]acetyl]amino]benzoate?
The InChIKey is ODQYMTMRBZAYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O6S/c1-32-24(29)18-7-3-4-8-20(18)26-23(28)15-33-22-11-10-17(14-19(22)25)34(30,31)27-13-12-16-6-2-5-9-21(16)27/h2-11,14H,12-13,15H2,1H3,(H,26,28).
What are the key properties of methyl 2-[[2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]acetyl]amino]benzoate?
methyl 2-[[2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]acetyl]amino]benzoate has a molecular weight of 500.96 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]acetyl]amino]benzoate is sourced from PubChem (CID 126396064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).