2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one

C17H16N2O5S2 — CID 22694479

IUPAC2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
SMILESO=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C17H16N2O5S2/c20-17-10-12-25(21,22)19(17)14-5-7-15(8-6-14)26(23,24)18-11-9-13-3-1-2-4-16(13)18/h1-8H,9-12H2
InChIKeyORSGEEZSUMZSBD-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.50
Rot. Bonds3

About 2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one

2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one (PubChem CID 22694479) has the molecular formula C17H16N2O5S2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
PubChem CID22694479
Molecular FormulaC17H16N2O5S2
Molecular Weight392.46 g/mol
Exact Mass392.05
IUPAC Name2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
SMILESO=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C17H16N2O5S2/c20-17-10-12-25(21,22)19(17)14-5-7-15(8-6-14)26(23,24)18-11-9-13-3-1-2-4-16(13)18/h1-8H,9-12H2
InChIKeyORSGEEZSUMZSBD-UHFFFAOYSA-N
XLogP1.50
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one with MolForge

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Related Compounds

2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 20896758
2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 22695002
2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 22694958
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CID 91670097
4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid
CID 856543
3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2H-phthalazine-1,4-dione
CID 22432827
4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzenesulfonamide
CID 134034304
4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylaniline
CID 43332089
1-[4-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole
CID 4806090
1-(4-pyridin-4-ylphenyl)sulfonyl-2,3-dihydroindole
CID 110454424
1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]ethanamine
CID 43106392
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,3-dihydroindole
CID 4806110

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The IUPAC name of 2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one (CID 22694479) is 2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one.
What is the SMILES notation for 2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The canonical SMILES for 2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one is O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The InChIKey is ORSGEEZSUMZSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5S2/c20-17-10-12-25(21,22)19(17)14-5-7-15(8-6-14)26(23,24)18-11-9-13-3-1-2-4-16(13)18/h1-8H,9-12H2.
What are the key properties of 2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one has a molecular weight of 392.46 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one is sourced from PubChem (CID 22694479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).