ethyl 4-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate

C18H20N2O6S2 — CID 24556093

IUPACethyl 4-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)N2c3ccc(S(N)(=O)=O)cc3CC2C)cc1
InChIInChI=1S/C18H20N2O6S2/c1-3-26-18(21)13-4-6-15(7-5-13)28(24,25)20-12(2)10-14-11-16(27(19,22)23)8-9-17(14)20/h4-9,11-12H,3,10H2,1-2H3,(H2,19,22,23)
InChIKeyXRFGQKMJLUZSBY-UHFFFAOYSA-N
MW424.50 g/mol
LogP1.65
Rot. Bonds5

About ethyl 4-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate

ethyl 4-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate (PubChem CID 24556093) has the molecular formula C18H20N2O6S2 and a molecular weight of 424.50 g/mol. Its IUPAC name is ethyl 4-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
PubChem CID24556093
Molecular FormulaC18H20N2O6S2
Molecular Weight424.50 g/mol
Exact Mass424.08
IUPAC Nameethyl 4-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)N2c3ccc(S(N)(=O)=O)cc3CC2C)cc1
InChIInChI=1S/C18H20N2O6S2/c1-3-26-18(21)13-4-6-15(7-5-13)28(24,25)20-12(2)10-14-11-16(27(19,22)23)8-9-17(14)20/h4-9,11-12H,3,10H2,1-2H3,(H2,19,22,23)
InChIKeyXRFGQKMJLUZSBY-UHFFFAOYSA-N
XLogP1.65
TPSA123.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
CID 42992372
(2R)-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
CID 1253684
2-methyl-5-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoic acid
CID 55460783
ethyl 4-[[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl]amino]benzoate
CID 41452649
methyl 5-bromo-2-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
CID 24563307
1-(2,5-dimethylphenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 24556091
ethyl 4-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]benzoate
CID 40653874
(2S)-N-ethyl-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671088
(2R)-N-ethyl-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671089
1-(2,4-difluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 24556080
ethyl 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 1460101
ethyl N-[4-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]carbamate
CID 28962185

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate?
The IUPAC name of ethyl 4-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate (CID 24556093) is ethyl 4-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate.
What is the SMILES notation for ethyl 4-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate?
The canonical SMILES for ethyl 4-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate is CCOC(=O)c1ccc(S(=O)(=O)N2c3ccc(S(N)(=O)=O)cc3CC2C)cc1.
What is the InChIKey of ethyl 4-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate?
The InChIKey is XRFGQKMJLUZSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6S2/c1-3-26-18(21)13-4-6-15(7-5-13)28(24,25)20-12(2)10-14-11-16(27(19,22)23)8-9-17(14)20/h4-9,11-12H,3,10H2,1-2H3,(H2,19,22,23).
What are the key properties of ethyl 4-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate?
ethyl 4-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate has a molecular weight of 424.50 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate is sourced from PubChem (CID 24556093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).