2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one

C18H18N2O5S2 — CID 22695002

IUPAC2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1
InChIInChI=1S/C18H18N2O5S2/c1-13-12-14-4-2-3-5-17(14)19(13)27(24,25)16-8-6-15(7-9-16)20-18(21)10-11-26(20,22)23/h2-9,13H,10-12H2,1H3
InChIKeyYWVIZCPYRDVYAZ-UHFFFAOYSA-N
MW406.49 g/mol
LogP1.89
Rot. Bonds3

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

2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one (PubChem CID 22695002) has the molecular formula C18H18N2O5S2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
PubChem CID22695002
Molecular FormulaC18H18N2O5S2
Molecular Weight406.49 g/mol
Exact Mass406.07
IUPAC Name2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1
InChIInChI=1S/C18H18N2O5S2/c1-13-12-14-4-2-3-5-17(14)19(13)27(24,25)16-8-6-15(7-9-16)20-18(21)10-11-26(20,22)23/h2-9,13H,10-12H2,1H3
InChIKeyYWVIZCPYRDVYAZ-UHFFFAOYSA-N
XLogP1.89
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

(4S)-4-methyl-2-[4-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 51710668
2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 22694479
2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 20896758
4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzonitrile
CID 24694007
2-methyl-1-(4-phenoxyphenyl)sulfonyl-2,3-dihydroindole
CID 43915536
2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 22694958
(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole
CID 2552012
(2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 7510411
2-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 22695230
4-amino-5-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329920
2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]acetic acid
CID 42958546
3-[4-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]propanoic acid
CID 7516346

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The IUPAC name of 2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one (CID 22695002) is 2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one.
What is the SMILES notation for 2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The canonical SMILES for 2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one is CC1Cc2ccccc2N1S(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1.
What is the InChIKey of 2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The InChIKey is YWVIZCPYRDVYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S2/c1-13-12-14-4-2-3-5-17(14)19(13)27(24,25)16-8-6-15(7-9-16)20-18(21)10-11-26(20,22)23/h2-9,13H,10-12H2,1H3.
What are the key properties of 2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one has a molecular weight of 406.49 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one is sourced from PubChem (CID 22695002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).