2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-amine

C15H15FN2O2S — CID 61017681

IUPAC2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-amine
SMILESNc1cccc2c1CCN(S(=O)(=O)c1ccc(F)cc1)C2
InChIInChI=1S/C15H15FN2O2S/c16-12-4-6-13(7-5-12)21(19,20)18-9-8-14-11(10-18)2-1-3-15(14)17/h1-7H,8-10,17H2
InChIKeyJVZKIXVTURFKHB-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.15
Rot. Bonds2

About 2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-amine

2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-amine (PubChem CID 61017681) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-amine
PubChem CID61017681
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC Name2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-amine
SMILESNc1cccc2c1CCN(S(=O)(=O)c1ccc(F)cc1)C2
InChIInChI=1S/C15H15FN2O2S/c16-12-4-6-13(7-5-12)21(19,20)18-9-8-14-11(10-18)2-1-3-15(14)17/h1-7H,8-10,17H2
InChIKeyJVZKIXVTURFKHB-UHFFFAOYSA-N
XLogP2.15
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-amine
CID 61019131
6-(4-fluorophenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridine
CID 61045177
2-(4-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-amine
CID 61017808
2-(5-bromo-4-methylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-amine
CID 79998142
2-(2-methoxyethylsulfonyl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 55014169
5-amino-N-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 114816018
2-pyridin-3-ylsulfonyl-3,4-dihydro-1H-isoquinolin-8-amine
CID 114523706
[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 2571794
8-(4-fluorophenyl)sulfonyl-2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinoline
CID 4899843
ethane;1-(4-fluorophenyl)sulfonylpiperidin-4-one
CID 143985374
2-[2-(4-fluorophenyl)sulfanylethyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 61014282
2-[2-(4-fluorophenoxy)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 61015179

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-amine?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-amine (CID 61017681) is 2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-amine.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-amine?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-amine is Nc1cccc2c1CCN(S(=O)(=O)c1ccc(F)cc1)C2.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-amine?
The InChIKey is JVZKIXVTURFKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c16-12-4-6-13(7-5-12)21(19,20)18-9-8-14-11(10-18)2-1-3-15(14)17/h1-7H,8-10,17H2.
What are the key properties of 2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-amine?
2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-amine has a molecular weight of 306.36 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-amine is sourced from PubChem (CID 61017681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).