N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide

C20H24N2O2S — CID 43049567

IUPACN-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESCN(C1CCCc2ccccc21)S(=O)(=O)N1CCc2ccccc2C1
InChIInChI=1S/C20H24N2O2S/c1-21(20-12-6-10-17-8-4-5-11-19(17)20)25(23,24)22-14-13-16-7-2-3-9-18(16)15-22/h2-5,7-9,11,20H,6,10,12-15H2,1H3
InChIKeyXIVWLCYQWFMFOF-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.30
Rot. Bonds3

About N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide

N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide (PubChem CID 43049567) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide
PubChem CID43049567
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC NameN-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESCN(C1CCCc2ccccc21)S(=O)(=O)N1CCc2ccccc2C1
InChIInChI=1S/C20H24N2O2S/c1-21(20-12-6-10-17-8-4-5-11-19(17)20)25(23,24)22-14-13-16-7-2-3-9-18(16)15-22/h2-5,7-9,11,20H,6,10,12-15H2,1H3
InChIKeyXIVWLCYQWFMFOF-UHFFFAOYSA-N
XLogP3.30
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide with MolForge

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Related Compounds

N-(azetidin-3-yl)-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 66186857
N-methyl-4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 42896930
N-methyl-N-pyrrolidin-3-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 63298216
4-fluoro-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 9301214
N-cyclobutyl-N-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 102675892
2-bromo-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 9301292
4-(difluoromethylsulfonyl)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 34041667
2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]propanoic acid
CID 61455331
2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 896528
3-fluoro-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 30934964
5-chloro-N,1-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-sulfonamide
CID 35310269
3,4-dimethoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 9301336

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The IUPAC name of N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide (CID 43049567) is N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide.
What is the SMILES notation for N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The canonical SMILES for N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide is CN(C1CCCc2ccccc21)S(=O)(=O)N1CCc2ccccc2C1.
What is the InChIKey of N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The InChIKey is XIVWLCYQWFMFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-21(20-12-6-10-17-8-4-5-11-19(17)20)25(23,24)22-14-13-16-7-2-3-9-18(16)15-22/h2-5,7-9,11,20H,6,10,12-15H2,1H3.
What are the key properties of N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide has a molecular weight of 356.49 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide is sourced from PubChem (CID 43049567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).