1-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine

C15H15FN2O2S — CID 62267076

IUPAC1-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine
SMILESNc1ccc2c(c1)N(S(=O)(=O)c1cccc(F)c1)CCC2
InChIInChI=1S/C15H15FN2O2S/c16-12-4-1-5-14(9-12)21(19,20)18-8-2-3-11-6-7-13(17)10-15(11)18/h1,4-7,9-10H,2-3,8,17H2
InChIKeyLTJICWQJXIEUTE-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.55
Rot. Bonds2

About 1-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine

1-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine (PubChem CID 62267076) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine
PubChem CID62267076
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC Name1-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine
SMILESNc1ccc2c(c1)N(S(=O)(=O)c1cccc(F)c1)CCC2
InChIInChI=1S/C15H15FN2O2S/c16-12-4-1-5-14(9-12)21(19,20)18-8-2-3-11-6-7-13(17)10-15(11)18/h1,4-7,9-10H,2-3,8,17H2
InChIKeyLTJICWQJXIEUTE-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-(3-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine
CID 62266376
3-fluoro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
CID 18565205
1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine
CID 16642538
2-fluoro-5-[(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoic acid
CID 56797641
8-fluoro-1-(3-fluorophenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinoline
CID 39846351
3-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenol
CID 103499722
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide
CID 31064364
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluoroaniline
CID 82845024
3-fluoro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 43990543
3-[[7-(2,4-difluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]benzoic acid
CID 175307031
7-amino-N,N-dimethyl-3,4-dihydro-2H-quinoline-1-sulfonamide
CID 28707191
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,5-difluorobenzenesulfonamide
CID 43990471

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine?
The IUPAC name of 1-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine (CID 62267076) is 1-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine.
What is the SMILES notation for 1-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine?
The canonical SMILES for 1-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine is Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(F)c1)CCC2.
What is the InChIKey of 1-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine?
The InChIKey is LTJICWQJXIEUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c16-12-4-1-5-14(9-12)21(19,20)18-8-2-3-11-6-7-13(17)10-15(11)18/h1,4-7,9-10H,2-3,8,17H2.
What are the key properties of 1-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine?
1-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-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-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine is sourced from PubChem (CID 62267076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).