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

C20H23ClN2O2S — CID 12783194

IUPACN-(2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-4-chloro-N-methylbenzenesulfonamide
SMILESCN(C1CCN2CCc3ccccc3C2C1)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
InChIKeyFAUPGGLLGHMNCQ-UHFFFAOYSA-N
MW390.94 g/mol
LogP3.72
Rot. Bonds3

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

N-(2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-4-chloro-N-methylbenzenesulfonamide (PubChem CID 12783194) has the molecular formula C20H23ClN2O2S and a molecular weight of 390.94 g/mol. Its IUPAC name is N-(2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-4-chloro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-4-chloro-N-methylbenzenesulfonamide
PubChem CID12783194
Molecular FormulaC20H23ClN2O2S
Molecular Weight390.94 g/mol
Exact Mass390.12
IUPAC NameN-(2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-4-chloro-N-methylbenzenesulfonamide
SMILESCN(C1CCN2CCc3ccccc3C2C1)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
InChIKeyFAUPGGLLGHMNCQ-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-4-chloro-N-methylbenzenesulfonamide?
The IUPAC name of N-(2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-4-chloro-N-methylbenzenesulfonamide (CID 12783194) is N-(2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-4-chloro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-4-chloro-N-methylbenzenesulfonamide?
The canonical SMILES for N-(2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-4-chloro-N-methylbenzenesulfonamide is CN(C1CCN2CCc3ccccc3C2C1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-4-chloro-N-methylbenzenesulfonamide?
The InChIKey is FAUPGGLLGHMNCQ-UHFFFAOYSA-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.
What are the key properties of N-(2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-4-chloro-N-methylbenzenesulfonamide?
N-(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-(2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-4-chloro-N-methylbenzenesulfonamide is sourced from PubChem (CID 12783194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).