5-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-1,3-dihydroindol-2-one

C18H18N2O3S — CID 9184637

IUPAC5-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-1,3-dihydroindol-2-one
SMILESC[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C18H18N2O3S/c1-12-6-7-13-4-2-3-5-17(13)20(12)24(22,23)15-8-9-16-14(10-15)11-18(21)19-16/h2-5,8-10,12H,6-7,11H2,1H3,(H,19,21)/t12-/m0/s1
InChIKeyWTUIZZMBEAMOAA-LBPRGKRZSA-N
MW342.42 g/mol
LogP2.71
Rot. Bonds2

About 5-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-1,3-dihydroindol-2-one

5-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-1,3-dihydroindol-2-one (PubChem CID 9184637) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 5-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-1,3-dihydroindol-2-one
PubChem CID9184637
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name5-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-1,3-dihydroindol-2-one
SMILESC[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C18H18N2O3S/c1-12-6-7-13-4-2-3-5-17(13)20(12)24(22,23)15-8-9-16-14(10-15)11-18(21)19-16/h2-5,8-10,12H,6-7,11H2,1H3,(H,19,21)/t12-/m0/s1
InChIKeyWTUIZZMBEAMOAA-LBPRGKRZSA-N
XLogP2.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-1,3-dihydroindol-2-one with MolForge

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Related Compounds

(2S)-1-(3,4-difluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
CID 8500012
4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenol
CID 43135503
3-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]benzenesulfonamide
CID 31773246
7-fluoro-6-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one
CID 94635879
5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]pyridin-2-amine
CID 62162302
5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 110662434
3-[4-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]propanoic acid
CID 8902779
6-[[(2S,3S)-2,3-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one
CID 96541833
6-[[(2S)-6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-4H-1,4-benzoxazin-3-one
CID 7320788
5-(2,4-dimethylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 110707877
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1,3-dihydroindol-2-one
CID 110867929
methyl N-[4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]carbamate
CID 2998844

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-1,3-dihydroindol-2-one (CID 9184637) is 5-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-1,3-dihydroindol-2-one is C[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-1,3-dihydroindol-2-one?
The InChIKey is WTUIZZMBEAMOAA-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-12-6-7-13-4-2-3-5-17(13)20(12)24(22,23)15-8-9-16-14(10-15)11-18(21)19-16/h2-5,8-10,12H,6-7,11H2,1H3,(H,19,21)/t12-/m0/s1.
What are the key properties of 5-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-1,3-dihydroindol-2-one?
5-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-1,3-dihydroindol-2-one has a molecular weight of 342.42 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 9184637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).