1-(4-fluorophenyl)-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]methanesulfonamide

C23H23FN2O4S2 — CID 16926208

IUPAC1-(4-fluorophenyl)-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]methanesulfonamide
SMILESCc1ccc(S(=O)(=O)N2CCc3ccc(NS(=O)(=O)Cc4ccc(F)cc4)cc3C2)cc1
InChIInChI=1S/C23H23FN2O4S2/c1-17-2-10-23(11-3-17)32(29,30)26-13-12-19-6-9-22(14-20(19)15-26)25-31(27,28)16-18-4-7-21(24)8-5-18/h2-11,14,25H,12-13,15-16H2,1H3
InChIKeyLTYPNCLJEKFXME-UHFFFAOYSA-N
MW474.58 g/mol
LogP3.82
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]methanesulfonamide

1-(4-fluorophenyl)-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]methanesulfonamide (PubChem CID 16926208) has the molecular formula C23H23FN2O4S2 and a molecular weight of 474.58 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]methanesulfonamide
PubChem CID16926208
Molecular FormulaC23H23FN2O4S2
Molecular Weight474.58 g/mol
Exact Mass474.11
IUPAC Name1-(4-fluorophenyl)-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]methanesulfonamide
SMILESCc1ccc(S(=O)(=O)N2CCc3ccc(NS(=O)(=O)Cc4ccc(F)cc4)cc3C2)cc1
InChIInChI=1S/C23H23FN2O4S2/c1-17-2-10-23(11-3-17)32(29,30)26-13-12-19-6-9-22(14-20(19)15-26)25-31(27,28)16-18-4-7-21(24)8-5-18/h2-11,14,25H,12-13,15-16H2,1H3
InChIKeyLTYPNCLJEKFXME-UHFFFAOYSA-N
XLogP3.82
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluorophenyl)-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]methanesulfonamide with MolForge

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Related Compounds

4-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide
CID 11163741
N-(1-((4-fluorophenyl)sulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide
CID 18565194
4-butyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide
CID 44425700
N-(3,4-dimethylphenyl)-4-[1-(4-piperidin-1-ylpiperidin-1-yl)ethyl]benzenesulfonamide
CID 44525841
N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-phenylbenzenesulfonamide
CID 21063022
4-methyl-N-(1-tosyl-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide
CID 18578083
2-fluoro-N-(1-(propylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide
CID 20962990
4-methyl-N-(1-(propylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide
CID 20962999
4-(propan-2-yl)-N-[1-(propane-1-sulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]benzene-1-sulfonamide
CID 20963020
N-[1-(propylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]biphenyl-4-sulfonamide
CID 20963026
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-fluorobenzenesulfonamide
CID 20963038
N-(1-(ethylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)-4-fluorobenzenesulfonamide
CID 20963040

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]methanesulfonamide (CID 16926208) is 1-(4-fluorophenyl)-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]methanesulfonamide is Cc1ccc(S(=O)(=O)N2CCc3ccc(NS(=O)(=O)Cc4ccc(F)cc4)cc3C2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]methanesulfonamide?
The InChIKey is LTYPNCLJEKFXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O4S2/c1-17-2-10-23(11-3-17)32(29,30)26-13-12-19-6-9-22(14-20(19)15-26)25-31(27,28)16-18-4-7-21(24)8-5-18/h2-11,14,25H,12-13,15-16H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]methanesulfonamide?
1-(4-fluorophenyl)-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]methanesulfonamide has a molecular weight of 474.58 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]methanesulfonamide is sourced from PubChem (CID 16926208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).