1-N,1-N-diethyl-2,3-dihydroindole-1,6-disulfonamide

C12H19N3O4S2 — CID 56806249

IUPAC1-N,1-N-diethyl-2,3-dihydroindole-1,6-disulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCc2ccc(S(N)(=O)=O)cc21
InChIInChI=1S/C12H19N3O4S2/c1-3-14(4-2)21(18,19)15-8-7-10-5-6-11(9-12(10)15)20(13,16)17/h5-6,9H,3-4,7-8H2,1-2H3,(H2,13,16,17)
InChIKeyFDYXVTKPFMHTGS-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.28
Rot. Bonds5

About 1-N,1-N-diethyl-2,3-dihydroindole-1,6-disulfonamide

1-N,1-N-diethyl-2,3-dihydroindole-1,6-disulfonamide (PubChem CID 56806249) has the molecular formula C12H19N3O4S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-N,1-N-diethyl-2,3-dihydroindole-1,6-disulfonamide.

Molecular Properties

Compound Name1-N,1-N-diethyl-2,3-dihydroindole-1,6-disulfonamide
PubChem CID56806249
Molecular FormulaC12H19N3O4S2
Molecular Weight333.44 g/mol
Exact Mass333.08
IUPAC Name1-N,1-N-diethyl-2,3-dihydroindole-1,6-disulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCc2ccc(S(N)(=O)=O)cc21
InChIInChI=1S/C12H19N3O4S2/c1-3-14(4-2)21(18,19)15-8-7-10-5-6-11(9-12(10)15)20(13,16)17/h5-6,9H,3-4,7-8H2,1-2H3,(H2,13,16,17)
InChIKeyFDYXVTKPFMHTGS-UHFFFAOYSA-N
XLogP0.28
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-2,3-dihydroindole-1,6-disulfonamide?
The IUPAC name of 1-N,1-N-diethyl-2,3-dihydroindole-1,6-disulfonamide (CID 56806249) is 1-N,1-N-diethyl-2,3-dihydroindole-1,6-disulfonamide.
What is the SMILES notation for 1-N,1-N-diethyl-2,3-dihydroindole-1,6-disulfonamide?
The canonical SMILES for 1-N,1-N-diethyl-2,3-dihydroindole-1,6-disulfonamide is CCN(CC)S(=O)(=O)N1CCc2ccc(S(N)(=O)=O)cc21.
What is the InChIKey of 1-N,1-N-diethyl-2,3-dihydroindole-1,6-disulfonamide?
The InChIKey is FDYXVTKPFMHTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S2/c1-3-14(4-2)21(18,19)15-8-7-10-5-6-11(9-12(10)15)20(13,16)17/h5-6,9H,3-4,7-8H2,1-2H3,(H2,13,16,17).
What are the key properties of 1-N,1-N-diethyl-2,3-dihydroindole-1,6-disulfonamide?
1-N,1-N-diethyl-2,3-dihydroindole-1,6-disulfonamide has a molecular weight of 333.44 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-2,3-dihydroindole-1,6-disulfonamide is sourced from PubChem (CID 56806249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).