N-[(2R,11bS)-10-chloro-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methanesulfonamide;hydrochloride

C14H20Cl2N2O2S — CID 45262127

IUPACN-[(2R,11bS)-10-chloro-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)N[C@@H]1CCN2CCc3ccc(Cl)cc3[C@@H]2C1.Cl
InChIInChI=1S/C14H19ClN2O2S.ClH/c1-20(18,19)16-12-5-7-17-6-4-10-2-3-11(15)8-13(10)14(17)9-12;/h2-3,8,12,14,16H,4-7,9H2,1H3;1H/t12-,14+;/m1./s1
InChIKeyOYLZFVUAZNKAII-OJMBIDBESA-N
MW351.30 g/mol
LogP2.37
Rot. Bonds2

About N-[(2R,11bS)-10-chloro-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methanesulfonamide;hydrochloride

N-[(2R,11bS)-10-chloro-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methanesulfonamide;hydrochloride (PubChem CID 45262127) has the molecular formula C14H20Cl2N2O2S and a molecular weight of 351.30 g/mol. Its IUPAC name is N-[(2R,11bS)-10-chloro-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R,11bS)-10-chloro-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methanesulfonamide;hydrochloride
PubChem CID45262127
Molecular FormulaC14H20Cl2N2O2S
Molecular Weight351.30 g/mol
Exact Mass350.06
IUPAC NameN-[(2R,11bS)-10-chloro-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)N[C@@H]1CCN2CCc3ccc(Cl)cc3[C@@H]2C1.Cl
InChIInChI=1S/C14H19ClN2O2S.ClH/c1-20(18,19)16-12-5-7-17-6-4-10-2-3-11(15)8-13(10)14(17)9-12;/h2-3,8,12,14,16H,4-7,9H2,1H3;1H/t12-,14+;/m1./s1
InChIKeyOYLZFVUAZNKAII-OJMBIDBESA-N
XLogP2.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2R,11bS)-10-chloro-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methanesulfonamide;hydrochloride with MolForge

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Related Compounds

N-[2-[[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-(chloromethylsulfonyl)amino]ethyl]-1-chloromethanesulfonamide
CID 44296661
N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methanesulfonamide
CID 13074428
N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-1-chloro-N-methylmethanesulfonamide
CID 13207919
N-[2-[[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-methylsulfonylamino]ethyl]-1-chloromethanesulfonamide
CID 44296199
N-[3-[[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-methylsulfonylamino]propyl]methanesulfonamide
CID 44296677
N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylmethanesulfonamide;hydrochloride
CID 12783188
N-[4-[[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-methylsulfonylamino]butyl]methanesulfonamide
CID 44296706
N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methanesulfonamide;hydrochloride
CID 13074427
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine-1-sulfonamide
CID 42947101
N-[(2S,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methanesulfonamide;hydrochloride
CID 45261959
(2R,11bS)-N-(methylsulfamoyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine;hydrochloride
CID 45261967
N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]ethanesulfonamide;hydrochloride
CID 45262031

Frequently Asked Questions

What is the IUPAC name of N-[(2R,11bS)-10-chloro-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[(2R,11bS)-10-chloro-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methanesulfonamide;hydrochloride (CID 45262127) is N-[(2R,11bS)-10-chloro-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[(2R,11bS)-10-chloro-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[(2R,11bS)-10-chloro-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methanesulfonamide;hydrochloride is CS(=O)(=O)N[C@@H]1CCN2CCc3ccc(Cl)cc3[C@@H]2C1.Cl.
What is the InChIKey of N-[(2R,11bS)-10-chloro-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methanesulfonamide;hydrochloride?
The InChIKey is OYLZFVUAZNKAII-OJMBIDBESA-N. The full InChI is InChI=1S/C14H19ClN2O2S.ClH/c1-20(18,19)16-12-5-7-17-6-4-10-2-3-11(15)8-13(10)14(17)9-12;/h2-3,8,12,14,16H,4-7,9H2,1H3;1H/t12-,14+;/m1./s1.
What are the key properties of N-[(2R,11bS)-10-chloro-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methanesulfonamide;hydrochloride?
N-[(2R,11bS)-10-chloro-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methanesulfonamide;hydrochloride has a molecular weight of 351.30 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,11bS)-10-chloro-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 45262127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).