dimethyl 2-[(5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzene-1,4-dicarboxylate

C18H18N2O8S2 — CID 24563282

IUPACdimethyl 2-[(5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)N2CCc3cc(S(N)(=O)=O)ccc32)c1
InChIInChI=1S/C18H18N2O8S2/c1-27-17(21)12-3-5-14(18(22)28-2)16(10-12)30(25,26)20-8-7-11-9-13(29(19,23)24)4-6-15(11)20/h3-6,9-10H,7-8H2,1-2H3,(H2,19,23,24)
InChIKeyIGQYGCSYPFIPGX-UHFFFAOYSA-N
MW454.48 g/mol
LogP0.66
Rot. Bonds5

About dimethyl 2-[(5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzene-1,4-dicarboxylate

dimethyl 2-[(5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzene-1,4-dicarboxylate (PubChem CID 24563282) has the molecular formula C18H18N2O8S2 and a molecular weight of 454.48 g/mol. Its IUPAC name is dimethyl 2-[(5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[(5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzene-1,4-dicarboxylate
PubChem CID24563282
Molecular FormulaC18H18N2O8S2
Molecular Weight454.48 g/mol
Exact Mass454.05
IUPAC Namedimethyl 2-[(5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)N2CCc3cc(S(N)(=O)=O)ccc32)c1
InChIInChI=1S/C18H18N2O8S2/c1-27-17(21)12-3-5-14(18(22)28-2)16(10-12)30(25,26)20-8-7-11-9-13(29(19,23)24)4-6-15(11)20/h3-6,9-10H,7-8H2,1-2H3,(H2,19,23,24)
InChIKeyIGQYGCSYPFIPGX-UHFFFAOYSA-N
XLogP0.66
TPSA150.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze dimethyl 2-[(5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzene-1,4-dicarboxylate with MolForge

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Related Compounds

methyl 1-(2-chloro-5-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole-5-carboxylate
CID 55589959
methyl 1-(2,3,4-trifluorophenyl)sulfonyl-2,3-dihydroindole-5-carboxylate
CID 31756320
methyl 1-(2,5-dimethylphenyl)sulfonyl-2,3-dihydroindole-5-carboxylate
CID 31756213
1-(2-methyl-5-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
CID 55895275
methyl 3-[(6-bromo-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-4-methoxybenzoate
CID 71865336
dimethyl 2-[[(2R)-2-carbamoyl-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]benzene-1,4-dicarboxylate
CID 26968389
3-[4-[(5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]propanoic acid
CID 24563287
methyl 2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoate
CID 51170271
methyl 1-benzylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 47019071
methyl 1-[(2S)-2-methoxypropyl]sulfonyl-2,3-dihydroindole-5-carboxylate
CID 129479747
dimethyl 2-[4-(methylamino)piperidin-1-yl]sulfonylbenzene-1,4-dicarboxylate;hydrochloride
CID 119979827
1-[3-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole-5-sulfonamide
CID 31781525

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2-[(5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzene-1,4-dicarboxylate (CID 24563282) is dimethyl 2-[(5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-[(5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2-[(5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzene-1,4-dicarboxylate is COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)N2CCc3cc(S(N)(=O)=O)ccc32)c1.
What is the InChIKey of dimethyl 2-[(5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzene-1,4-dicarboxylate?
The InChIKey is IGQYGCSYPFIPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O8S2/c1-27-17(21)12-3-5-14(18(22)28-2)16(10-12)30(25,26)20-8-7-11-9-13(29(19,23)24)4-6-15(11)20/h3-6,9-10H,7-8H2,1-2H3,(H2,19,23,24).
What are the key properties of dimethyl 2-[(5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzene-1,4-dicarboxylate?
dimethyl 2-[(5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzene-1,4-dicarboxylate has a molecular weight of 454.48 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzene-1,4-dicarboxylate is sourced from PubChem (CID 24563282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).