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

C19H20N2O5S2 — CID 51710668

IUPAC(4S)-4-methyl-2-[4-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
SMILESC[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)N3c4ccccc4C[C@H]3C)cc2)C1=O
InChIInChI=1S/C19H20N2O5S2/c1-13-12-27(23,24)21(19(13)22)16-7-9-17(10-8-16)28(25,26)20-14(2)11-15-5-3-4-6-18(15)20/h3-10,13-14H,11-12H2,1-2H3/t13-,14-/m1/s1
InChIKeyKTMNGDWBDSMALZ-ZIAGYGMSSA-N
MW420.51 g/mol
LogP2.14
Rot. Bonds3

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

(4S)-4-methyl-2-[4-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one (PubChem CID 51710668) has the molecular formula C19H20N2O5S2 and a molecular weight of 420.51 g/mol. Its IUPAC name is (4S)-4-methyl-2-[4-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name(4S)-4-methyl-2-[4-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
PubChem CID51710668
Molecular FormulaC19H20N2O5S2
Molecular Weight420.51 g/mol
Exact Mass420.08
IUPAC Name(4S)-4-methyl-2-[4-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
SMILESC[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)N3c4ccccc4C[C@H]3C)cc2)C1=O
InChIInChI=1S/C19H20N2O5S2/c1-13-12-27(23,24)21(19(13)22)16-7-9-17(10-8-16)28(25,26)20-14(2)11-15-5-3-4-6-18(15)20/h3-10,13-14H,11-12H2,1-2H3/t13-,14-/m1/s1
InChIKeyKTMNGDWBDSMALZ-ZIAGYGMSSA-N
XLogP2.14
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 22695002
4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzonitrile
CID 24694007
2-methyl-1-(4-phenoxyphenyl)sulfonyl-2,3-dihydroindole
CID 43915536
4-methyl-1,1-dioxo-2-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-1,2-thiazolidin-3-one
CID 21004803
(2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 7510411
(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole
CID 2552012
4-amino-5-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329920
3-[4-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]propanoic acid
CID 7516346
2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]acetic acid
CID 42958546
(4S)-2-[4-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one
CID 42271491
2-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline
CID 82845026
N-cyclopropyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
CID 109058375

Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-2-[4-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The IUPAC name of (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) is (4S)-4-methyl-2-[4-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one.
What is the SMILES notation for (4S)-4-methyl-2-[4-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The canonical SMILES for (4S)-4-methyl-2-[4-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one is C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)N3c4ccccc4C[C@H]3C)cc2)C1=O.
What is the InChIKey of (4S)-4-methyl-2-[4-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The InChIKey is KTMNGDWBDSMALZ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H20N2O5S2/c1-13-12-27(23,24)21(19(13)22)16-7-9-17(10-8-16)28(25,26)20-14(2)11-15-5-3-4-6-18(15)20/h3-10,13-14H,11-12H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of (4S)-4-methyl-2-[4-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
(4S)-4-methyl-2-[4-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one has a molecular weight of 420.51 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-2-[4-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one is sourced from PubChem (CID 51710668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).