1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine

C15H15FN2O2S — CID 16642538

IUPAC1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine
SMILESNc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H15FN2O2S/c16-12-3-6-14(7-4-12)21(19,20)18-9-1-2-11-10-13(17)5-8-15(11)18/h3-8,10H,1-2,9,17H2
InChIKeyICGYASYYRGZLPM-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.55
Rot. Bonds2

About 1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine

1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine (PubChem CID 16642538) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine
PubChem CID16642538
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC Name1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine
SMILESNc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H15FN2O2S/c16-12-3-6-14(7-4-12)21(19,20)18-9-1-2-11-10-13(17)5-8-15(11)18/h3-8,10H,1-2,9,17H2
InChIKeyICGYASYYRGZLPM-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
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

1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-5-amine
CID 16642565
4-[(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzaldehyde
CID 155923743
1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-5-amine
CID 28707138
1-(benzenesulfonyl)-2,3-dihydroindol-5-amine
CID 16642564
1-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine
CID 62267076
1-(4-fluorophenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline
CID 118714845
acetamide;acetylene;1,1,1,3,3,3-hexafluoro-2-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]propan-2-ol
CID 144805036
4-ethyl-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 27368912
1-(3-bromothiophen-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine
CID 61458101
1-(4-bromophenyl)sulfonyl-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 52582833
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluoroaniline
CID 82845024
1-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine
CID 62374780

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine (CID 16642538) is 1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine is Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine?
The InChIKey is ICGYASYYRGZLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c16-12-3-6-14(7-4-12)21(19,20)18-9-1-2-11-10-13(17)5-8-15(11)18/h3-8,10H,1-2,9,17H2.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine?
1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine has a molecular weight of 306.36 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine is sourced from PubChem (CID 16642538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).