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

C17H20N2O3S — CID 110628144

IUPAC1-(4-methoxyphenyl)-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESCNS(=O)(=O)N1CCc2ccccc2C1c1ccc(OC)cc1
InChIInChI=1S/C17H20N2O3S/c1-18-23(20,21)19-12-11-13-5-3-4-6-16(13)17(19)14-7-9-15(22-2)10-8-14/h3-10,17-18H,11-12H2,1-2H3
InChIKeyBUKVRXDVLQCYRI-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.11
Rot. Bonds4

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

1-(4-methoxyphenyl)-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide (PubChem CID 110628144) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
PubChem CID110628144
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name1-(4-methoxyphenyl)-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESCNS(=O)(=O)N1CCc2ccccc2C1c1ccc(OC)cc1
InChIInChI=1S/C17H20N2O3S/c1-18-23(20,21)19-12-11-13-5-3-4-6-16(13)17(19)14-7-9-15(22-2)10-8-14/h3-10,17-18H,11-12H2,1-2H3
InChIKeyBUKVRXDVLQCYRI-UHFFFAOYSA-N
XLogP2.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 110628085
1-(4-tert-butylphenyl)-2-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline
CID 102390709
(5R)-5-(4-methoxyphenyl)-3-methyl-2,5-dihydro-1H-3-benzazepin-4-one
CID 124647171
[1-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-thiophen-2-ylmethanone
CID 110288971
(3R,10bR)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinoline
CID 92699000
(1S)-2-(5-methylthiophen-2-yl)sulfonyl-1-phenyl-3,4-dihydro-1H-isoquinoline
CID 146096119
(1S)-N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 138717888
4-[(7-methoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]benzoic acid
CID 57422408
[1-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-pyridin-3-ylmethanone
CID 110288981
1-(2-chlorophenyl)-N-propyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 110628137
(1R)-1-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 138972942
5-(4-methoxyphenyl)-11-methyl-2,3,5,10-tetrahydro-1H-pyrazolo[1,2-b]phthalazin-11-ium
CID 44725556

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The IUPAC name of 1-(4-methoxyphenyl)-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide (CID 110628144) is 1-(4-methoxyphenyl)-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The canonical SMILES for 1-(4-methoxyphenyl)-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide is CNS(=O)(=O)N1CCc2ccccc2C1c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The InChIKey is BUKVRXDVLQCYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-18-23(20,21)19-12-11-13-5-3-4-6-16(13)17(19)14-7-9-15(22-2)10-8-14/h3-10,17-18H,11-12H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
1-(4-methoxyphenyl)-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide has a molecular weight of 332.43 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide is sourced from PubChem (CID 110628144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).