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

C15H16N2O2S — CID 16642550

IUPAC1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-amine
SMILESNc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2
InChIInChI=1S/C15H16N2O2S/c16-13-9-8-12-5-4-10-17(15(12)11-13)20(18,19)14-6-2-1-3-7-14/h1-3,6-9,11H,4-5,10,16H2
InChIKeyZVPDULXKESRILS-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.41
Rot. Bonds2

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

1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-amine (PubChem CID 16642550) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-amine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-amine
PubChem CID16642550
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-amine
SMILESNc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2
InChIInChI=1S/C15H16N2O2S/c16-13-9-8-12-5-4-10-17(15(12)11-13)20(18,19)14-6-2-1-3-7-14/h1-3,6-9,11H,4-5,10,16H2
InChIKeyZVPDULXKESRILS-UHFFFAOYSA-N
XLogP2.41
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-amine?
The IUPAC name of 1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-amine (CID 16642550) is 1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-amine.
What is the SMILES notation for 1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-amine?
The canonical SMILES for 1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-amine is Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2.
What is the InChIKey of 1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-amine?
The InChIKey is ZVPDULXKESRILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c16-13-9-8-12-5-4-10-17(15(12)11-13)20(18,19)14-6-2-1-3-7-14/h1-3,6-9,11H,4-5,10,16H2.
What are the key properties of 1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-amine?
1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-amine has a molecular weight of 288.37 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-amine is sourced from PubChem (CID 16642550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).