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

C19H23N3O2S — CID 13318112

IUPACN-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylpyridine-3-sulfonamide
SMILESCN([C@@H]1CCN2CCc3ccccc3[C@@H]2C1)S(=O)(=O)c1cccnc1
InChIInChI=1S/C19H23N3O2S/c1-21(25(23,24)17-6-4-10-20-14-17)16-9-12-22-11-8-15-5-2-3-7-18(15)19(22)13-16/h2-7,10,14,16,19H,8-9,11-13H2,1H3/t16-,19+/m1/s1
InChIKeyVVLWFLPJEQYORD-APWZRJJASA-N
MW357.48 g/mol
LogP2.46
Rot. Bonds3

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

N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylpyridine-3-sulfonamide (PubChem CID 13318112) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylpyridine-3-sulfonamide
PubChem CID13318112
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylpyridine-3-sulfonamide
SMILESCN([C@@H]1CCN2CCc3ccccc3[C@@H]2C1)S(=O)(=O)c1cccnc1
InChIInChI=1S/C19H23N3O2S/c1-21(25(23,24)17-6-4-10-20-14-17)16-9-12-22-11-8-15-5-2-3-7-18(15)19(22)13-16/h2-7,10,14,16,19H,8-9,11-13H2,1H3/t16-,19+/m1/s1
InChIKeyVVLWFLPJEQYORD-APWZRJJASA-N
XLogP2.46
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-(5-Isoquinolinylsulfonyl)-2-Methylpiperazine
CID 3542
iso-H 7
CID 1352
5-{[(2S)-2-methylpiperazin-1-yl]sulfonyl}isoquinoline
CID 449240
3-[1-(4-Chlorophenyl)sulfonylpiperidin-2-yl]pyridine
CID 2894141
4-Pyridin-3-ylbenzenesulfonamide
CID 110453853
3-{1-[(2,3,4-Trimethylphenyl)sulfonyl]piperidin-2-yl}pyridine
CID 4563535
3-(1-Tosylpyrrolidin-2-yl)pyridine
CID 2738278
Isoquinolinium, 2-dodecyl-, p-toluenesulfonate
CID 21517
(R)-1-(4-tert-butylphenylsulfonyl)-2-methyl-4-(3-(pyridin-4-yl)propyl)piperazine
CID 44564924
1-[(4-Methylphenyl)sulfonyl]-4-(pyridin-3-ylmethyl)piperazine
CID 873509
3,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 1075099
1-(5-Isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride
CID 73332

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]-N-methylpyridine-3-sulfonamide?
The IUPAC name of N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylpyridine-3-sulfonamide (CID 13318112) is N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylpyridine-3-sulfonamide?
The canonical SMILES for N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylpyridine-3-sulfonamide is CN([C@@H]1CCN2CCc3ccccc3[C@@H]2C1)S(=O)(=O)c1cccnc1.
What is the InChIKey of N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylpyridine-3-sulfonamide?
The InChIKey is VVLWFLPJEQYORD-APWZRJJASA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-21(25(23,24)17-6-4-10-20-14-17)16-9-12-22-11-8-15-5-2-3-7-18(15)19(22)13-16/h2-7,10,14,16,19H,8-9,11-13H2,1H3/t16-,19+/m1/s1.
What are the key properties of N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylpyridine-3-sulfonamide?
N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylpyridine-3-sulfonamide has a molecular weight of 357.48 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 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]-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 13318112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).