1-(1,3-dioxoisoindol-5-yl)sulfonyl-2,3-dihydroindole-5-sulfonamide

C16H13N3O6S2 — CID 56561787

IUPAC1-(1,3-dioxoisoindol-5-yl)sulfonyl-2,3-dihydroindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C16H13N3O6S2/c17-26(22,23)10-2-4-14-9(7-10)5-6-19(14)27(24,25)11-1-3-12-13(8-11)16(21)18-15(12)20/h1-4,7-8H,5-6H2,(H2,17,22,23)(H,18,20,21)
InChIKeySKDATNALOYOGPS-UHFFFAOYSA-N
MW407.43 g/mol
LogP-0.03
Rot. Bonds3

About 1-(1,3-dioxoisoindol-5-yl)sulfonyl-2,3-dihydroindole-5-sulfonamide

1-(1,3-dioxoisoindol-5-yl)sulfonyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 56561787) has the molecular formula C16H13N3O6S2 and a molecular weight of 407.43 g/mol. Its IUPAC name is 1-(1,3-dioxoisoindol-5-yl)sulfonyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-(1,3-dioxoisoindol-5-yl)sulfonyl-2,3-dihydroindole-5-sulfonamide
PubChem CID56561787
Molecular FormulaC16H13N3O6S2
Molecular Weight407.43 g/mol
Exact Mass407.02
IUPAC Name1-(1,3-dioxoisoindol-5-yl)sulfonyl-2,3-dihydroindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C16H13N3O6S2/c17-26(22,23)10-2-4-14-9(7-10)5-6-19(14)27(24,25)11-1-3-12-13(8-11)16(21)18-15(12)20/h1-4,7-8H,5-6H2,(H2,17,22,23)(H,18,20,21)
InChIKeySKDATNALOYOGPS-UHFFFAOYSA-N
XLogP-0.03
TPSA143.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl]-2,3-dihydroindole-5-sulfonamide
CID 24622202
1-[3-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole-5-sulfonamide
CID 31781525
3-[4-[(5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]propanoic acid
CID 24563287
1-(2-methylpropylsulfonyl)-2,3-dihydroindole-5-sulfonamide
CID 62998922
1-(2-methyl-5-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
CID 55895275
1-formyl-2,3-dihydroindole-5-sulfonamide
CID 89385398
1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-5-amine
CID 16642565
4-amino-5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329693
1-(3-methylbutylsulfonyl)-2,3-dihydroindole-5-sulfonamide
CID 52882056
1-(2-phenylethylsulfonyl)-2,3-dihydroindole-5-sulfonamide
CID 60531722
1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-5-amine
CID 28707138
5-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]-1,3-dihydrobenzimidazol-2-one
CID 110714206

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxoisoindol-5-yl)sulfonyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-(1,3-dioxoisoindol-5-yl)sulfonyl-2,3-dihydroindole-5-sulfonamide (CID 56561787) is 1-(1,3-dioxoisoindol-5-yl)sulfonyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-(1,3-dioxoisoindol-5-yl)sulfonyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-(1,3-dioxoisoindol-5-yl)sulfonyl-2,3-dihydroindole-5-sulfonamide is NS(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc2c(c1)C(=O)NC2=O.
What is the InChIKey of 1-(1,3-dioxoisoindol-5-yl)sulfonyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is SKDATNALOYOGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O6S2/c17-26(22,23)10-2-4-14-9(7-10)5-6-19(14)27(24,25)11-1-3-12-13(8-11)16(21)18-15(12)20/h1-4,7-8H,5-6H2,(H2,17,22,23)(H,18,20,21).
What are the key properties of 1-(1,3-dioxoisoindol-5-yl)sulfonyl-2,3-dihydroindole-5-sulfonamide?
1-(1,3-dioxoisoindol-5-yl)sulfonyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 407.43 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxoisoindol-5-yl)sulfonyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 56561787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).