methyl N-[4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]phenyl]sulfonylcarbamate;molecular hydrogen

C21H26ClN3O5S — CID 157382543

IUPACmethyl N-[4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]phenyl]sulfonylcarbamate;molecular hydrogen
SMILESCOC(=O)NS(=O)(=O)c1ccc(N2CC[C@H](N3CCCc4cc(Cl)ccc43)C2=O)cc1.[H][H].[H][H]
InChIInChI=1S/C21H22ClN3O5S.2H2/c1-30-21(27)23-31(28,29)17-7-5-16(6-8-17)24-12-10-19(20(24)26)25-11-2-3-14-13-15(22)4-9-18(14)25;;/h4-9,13,19H,2-3,10-12H2,1H3,(H,23,27);2*1H/t19-;;/m0../s1
InChIKeyBLBAACFVCFTOJA-TXEPZDRESA-N
MW467.98 g/mol
LogP3.43
Rot. Bonds4

About methyl N-[4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]phenyl]sulfonylcarbamate;molecular hydrogen

methyl N-[4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]phenyl]sulfonylcarbamate;molecular hydrogen (PubChem CID 157382543) has the molecular formula C21H26ClN3O5S and a molecular weight of 467.98 g/mol. Its IUPAC name is methyl N-[4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]phenyl]sulfonylcarbamate;molecular hydrogen.

Molecular Properties

Compound Namemethyl N-[4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]phenyl]sulfonylcarbamate;molecular hydrogen
PubChem CID157382543
Molecular FormulaC21H26ClN3O5S
Molecular Weight467.98 g/mol
Exact Mass467.13
IUPAC Namemethyl N-[4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]phenyl]sulfonylcarbamate;molecular hydrogen
SMILESCOC(=O)NS(=O)(=O)c1ccc(N2CC[C@H](N3CCCc4cc(Cl)ccc43)C2=O)cc1.[H][H].[H][H]
InChIInChI=1S/C21H22ClN3O5S.2H2/c1-30-21(27)23-31(28,29)17-7-5-16(6-8-17)24-12-10-19(20(24)26)25-11-2-3-14-13-15(22)4-9-18(14)25;;/h4-9,13,19H,2-3,10-12H2,1H3,(H,23,27);2*1H/t19-;;/m0../s1
InChIKeyBLBAACFVCFTOJA-TXEPZDRESA-N
XLogP3.43
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.98
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl N-[4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]phenyl]sulfonylcarbamate;molecular hydrogen with MolForge

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Related Compounds

4-[(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 58215396
(Z)-N'-[4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]phenyl]sulfonyl-3-hydroxybut-2-enimidamide
CID 135965515
4-bromo-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)pyrrolidin-2-one;methane
CID 159512133
methyl N-[4-[[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-4-methylpentanoyl]amino]phenyl]sulfonylcarbamate
CID 25118183
4-[(3R)-3-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-2-oxopyrrolidin-1-yl]benzonitrile
CID 97011711
4-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide;molecular hydrogen
CID 159071267
4-[(3S)-3-(6-chloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-3-(2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 158508347
4-[(3S)-3-(4-butylsulfonylpiperazin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(5-chloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 159797382
4-[(3S)-3-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 160519982
4-[(3S)-3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]benzenesulfinic acid
CID 58215099
1-(methoxycarbonylsulfamoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 114462048
4-[(3S)-3-(5,6-dichloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 59466398

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]phenyl]sulfonylcarbamate;molecular hydrogen?
The IUPAC name of methyl N-[4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]phenyl]sulfonylcarbamate;molecular hydrogen (CID 157382543) is methyl N-[4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]phenyl]sulfonylcarbamate;molecular hydrogen.
What is the SMILES notation for methyl N-[4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]phenyl]sulfonylcarbamate;molecular hydrogen?
The canonical SMILES for methyl N-[4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]phenyl]sulfonylcarbamate;molecular hydrogen is COC(=O)NS(=O)(=O)c1ccc(N2CC[C@H](N3CCCc4cc(Cl)ccc43)C2=O)cc1.[H][H].[H][H].
What is the InChIKey of methyl N-[4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]phenyl]sulfonylcarbamate;molecular hydrogen?
The InChIKey is BLBAACFVCFTOJA-TXEPZDRESA-N. The full InChI is InChI=1S/C21H22ClN3O5S.2H2/c1-30-21(27)23-31(28,29)17-7-5-16(6-8-17)24-12-10-19(20(24)26)25-11-2-3-14-13-15(22)4-9-18(14)25;;/h4-9,13,19H,2-3,10-12H2,1H3,(H,23,27);2*1H/t19-;;/m0../s1.
What are the key properties of methyl N-[4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]phenyl]sulfonylcarbamate;molecular hydrogen?
methyl N-[4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]phenyl]sulfonylcarbamate;molecular hydrogen has a molecular weight of 467.98 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]phenyl]sulfonylcarbamate;molecular hydrogen is sourced from PubChem (CID 157382543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).