N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-4-chloro-N-methylbenzenesulfonamide

C20H23ClN2O2S — CID 12783198

IUPACN-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-4-chloro-N-methylbenzenesulfonamide
SMILESCN([C@@H]1CCN2CCc3ccccc3[C@@H]2C1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O2S/c1-22(26(24,25)18-8-6-16(21)7-9-18)17-11-13-23-12-10-15-4-2-3-5-19(15)20(23)14-17/h2-9,17,20H,10-14H2,1H3/t17-,20+/m1/s1
InChIKeyFAUPGGLLGHMNCQ-XLIONFOSSA-N
MW390.94 g/mol
LogP3.72
Rot. Bonds3

About N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-4-chloro-N-methylbenzenesulfonamide

N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-4-chloro-N-methylbenzenesulfonamide (PubChem CID 12783198) has the molecular formula C20H23ClN2O2S and a molecular weight of 390.94 g/mol. Its IUPAC name is N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-4-chloro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-4-chloro-N-methylbenzenesulfonamide
PubChem CID12783198
Molecular FormulaC20H23ClN2O2S
Molecular Weight390.94 g/mol
Exact Mass390.12
IUPAC NameN-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-4-chloro-N-methylbenzenesulfonamide
SMILESCN([C@@H]1CCN2CCc3ccccc3[C@@H]2C1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O2S/c1-22(26(24,25)18-8-6-16(21)7-9-18)17-11-13-23-12-10-15-4-2-3-5-19(15)20(23)14-17/h2-9,17,20H,10-14H2,1H3/t17-,20+/m1/s1
InChIKeyFAUPGGLLGHMNCQ-XLIONFOSSA-N
XLogP3.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.94
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-4-chloro-N-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Benzyl-4-((4-chlorophenyl)sulfonyl)piperazine
CID 985373
(8aR,12aS,13aS)-12-(benzenesulfonyl)-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine
CID 14307722
(8aR,12aS,13aS)-12-(4-chlorophenyl)sulfonyl-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine
CID 14307728
1-(4-Chlorophenyl)sulfonyl-2-phenylpiperidine
CID 46884324
1'-((4'-Chloro-[1,1'-biphenyl]-4-yl)sulfonyl)-4-methyl-1,4'-bipiperidine
CID 118308419
1-[1-[3-(4-Chlorophenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 138627957
1-[1-[2-(4-Chlorophenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 141659836
4-chloro-N-[2-phenyl-2-(piperidin-1-yl)ethyl]benzene-1-sulfonamide
CID 3116171
N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N,2-dimethylbenzenesulfonamide
CID 12783203
N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylbenzenesulfonamide
CID 12783223
N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N,4-dimethylbenzenesulfonamide
CID 12783228
4-Chloro-N-[2-(4-methylpiperidin-1-YL)-2-phenylethyl]benzene-1-sulfonamide
CID 23604916

Frequently Asked Questions

What is the IUPAC name of N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-4-chloro-N-methylbenzenesulfonamide?
The IUPAC name of N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-4-chloro-N-methylbenzenesulfonamide (CID 12783198) is N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-4-chloro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-4-chloro-N-methylbenzenesulfonamide?
The canonical SMILES for N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-4-chloro-N-methylbenzenesulfonamide is CN([C@@H]1CCN2CCc3ccccc3[C@@H]2C1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-4-chloro-N-methylbenzenesulfonamide?
The InChIKey is FAUPGGLLGHMNCQ-XLIONFOSSA-N. The full InChI is InChI=1S/C20H23ClN2O2S/c1-22(26(24,25)18-8-6-16(21)7-9-18)17-11-13-23-12-10-15-4-2-3-5-19(15)20(23)14-17/h2-9,17,20H,10-14H2,1H3/t17-,20+/m1/s1.
What are the key properties of N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-4-chloro-N-methylbenzenesulfonamide?
N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-4-chloro-N-methylbenzenesulfonamide has a molecular weight of 390.94 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-4-chloro-N-methylbenzenesulfonamide is sourced from PubChem (CID 12783198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).