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

C19H23FN2O2S — CID 131915652

IUPAC1-(4-fluorophenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]methanesulfonamide
SMILESCN1Cc2ccccc2CC1CN(C)S(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C19H23FN2O2S/c1-21-12-17-6-4-3-5-16(17)11-19(21)13-22(2)25(23,24)14-15-7-9-18(20)10-8-15/h3-10,19H,11-14H2,1-2H3
InChIKeySVDOPTUYJAXTFR-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.64
Rot. Bonds5

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

1-(4-fluorophenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]methanesulfonamide (PubChem CID 131915652) has the molecular formula C19H23FN2O2S and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]methanesulfonamide
PubChem CID131915652
Molecular FormulaC19H23FN2O2S
Molecular Weight362.47 g/mol
Exact Mass362.15
IUPAC Name1-(4-fluorophenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]methanesulfonamide
SMILESCN1Cc2ccccc2CC1CN(C)S(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C19H23FN2O2S/c1-21-12-17-6-4-3-5-16(17)11-19(21)13-22(2)25(23,24)14-15-7-9-18(20)10-8-15/h3-10,19H,11-14H2,1-2H3
InChIKeySVDOPTUYJAXTFR-UHFFFAOYSA-N
XLogP2.64
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]methanesulfonamide (CID 131915652) is 1-(4-fluorophenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]methanesulfonamide is CN1Cc2ccccc2CC1CN(C)S(=O)(=O)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]methanesulfonamide?
The InChIKey is SVDOPTUYJAXTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2S/c1-21-12-17-6-4-3-5-16(17)11-19(21)13-22(2)25(23,24)14-15-7-9-18(20)10-8-15/h3-10,19H,11-14H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]methanesulfonamide?
1-(4-fluorophenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]methanesulfonamide has a molecular weight of 362.47 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 131915652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).