methyl 5-bromo-2-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate

C17H17BrN2O6S2 — CID 24563307

IUPACmethyl 5-bromo-2-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
SMILESCOC(=O)c1cc(Br)ccc1S(=O)(=O)N1c2ccc(S(N)(=O)=O)cc2CC1C
InChIInChI=1S/C17H17BrN2O6S2/c1-10-7-11-8-13(27(19,22)23)4-5-15(11)20(10)28(24,25)16-6-3-12(18)9-14(16)17(21)26-2/h3-6,8-10H,7H2,1-2H3,(H2,19,22,23)
InChIKeyZWJIHSCZXSRVIO-UHFFFAOYSA-N
MW489.37 g/mol
LogP2.02
Rot. Bonds4

About methyl 5-bromo-2-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate

methyl 5-bromo-2-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate (PubChem CID 24563307) has the molecular formula C17H17BrN2O6S2 and a molecular weight of 489.37 g/mol. Its IUPAC name is methyl 5-bromo-2-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate.

Molecular Properties

Compound Namemethyl 5-bromo-2-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
PubChem CID24563307
Molecular FormulaC17H17BrN2O6S2
Molecular Weight489.37 g/mol
Exact Mass487.97
IUPAC Namemethyl 5-bromo-2-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
SMILESCOC(=O)c1cc(Br)ccc1S(=O)(=O)N1c2ccc(S(N)(=O)=O)cc2CC1C
InChIInChI=1S/C17H17BrN2O6S2/c1-10-7-11-8-13(27(19,22)23)4-5-15(11)20(10)28(24,25)16-6-3-12(18)9-14(16)17(21)26-2/h3-6,8-10H,7H2,1-2H3,(H2,19,22,23)
InChIKeyZWJIHSCZXSRVIO-UHFFFAOYSA-N
XLogP2.02
TPSA123.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-bromo-2-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate with MolForge

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Related Compounds

Methyl 2-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonylamino]benzoate
CID 15987766
methyl 5-bromo-2-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoate
CID 24656591
[2-(2-Methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 5-bromo-2-fluorobenzoate
CID 46645331
Methyl 4-fluoro-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
CID 47946190
Methyl 3-(2,3-dihydroindol-1-ylsulfonyl)-4-fluorobenzoate
CID 47946511
Methyl 2-bromo-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)sulfamoyl]benzoate
CID 55920968
Methyl 4-fluoro-3-[(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
CID 56092838
Methyl 3-[[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]sulfonyl]-4-fluorobenzoate
CID 56092839
Methyl 4-fluoro-3-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
CID 56092889
Methyl 5-bromo-2-[(2-fluorophenyl)-methylsulfamoyl]benzoate
CID 56395218
Methyl 5-bromo-2-[(2,5-difluorophenyl)-methylsulfamoyl]benzoate
CID 60236964
Methyl 3-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-2-methylbenzoate
CID 60277651

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-2-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate?
The IUPAC name of methyl 5-bromo-2-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate (CID 24563307) is methyl 5-bromo-2-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate.
What is the SMILES notation for methyl 5-bromo-2-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate?
The canonical SMILES for methyl 5-bromo-2-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate is COC(=O)c1cc(Br)ccc1S(=O)(=O)N1c2ccc(S(N)(=O)=O)cc2CC1C.
What is the InChIKey of methyl 5-bromo-2-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate?
The InChIKey is ZWJIHSCZXSRVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O6S2/c1-10-7-11-8-13(27(19,22)23)4-5-15(11)20(10)28(24,25)16-6-3-12(18)9-14(16)17(21)26-2/h3-6,8-10H,7H2,1-2H3,(H2,19,22,23).
What are the key properties of methyl 5-bromo-2-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate?
methyl 5-bromo-2-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate has a molecular weight of 489.37 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-2-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate is sourced from PubChem (CID 24563307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).