1-(benzenesulfonyl)-N-(4-fluorophenyl)-3,4-dihydro-2H-quinoline-2-carboxamide

C22H19FN2O3S — CID 126803928

IUPAC1-(benzenesulfonyl)-N-(4-fluorophenyl)-3,4-dihydro-2H-quinoline-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CCc2ccccc2N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H19FN2O3S/c23-17-11-13-18(14-12-17)24-22(26)21-15-10-16-6-4-5-9-20(16)25(21)29(27,28)19-7-2-1-3-8-19/h1-9,11-14,21H,10,15H2,(H,24,26)
InChIKeyZBXPAZCQWHGNNE-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.97
Rot. Bonds4

About 1-(benzenesulfonyl)-N-(4-fluorophenyl)-3,4-dihydro-2H-quinoline-2-carboxamide

1-(benzenesulfonyl)-N-(4-fluorophenyl)-3,4-dihydro-2H-quinoline-2-carboxamide (PubChem CID 126803928) has the molecular formula C22H19FN2O3S and a molecular weight of 410.47 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(4-fluorophenyl)-3,4-dihydro-2H-quinoline-2-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(4-fluorophenyl)-3,4-dihydro-2H-quinoline-2-carboxamide
PubChem CID126803928
Molecular FormulaC22H19FN2O3S
Molecular Weight410.47 g/mol
Exact Mass410.11
IUPAC Name1-(benzenesulfonyl)-N-(4-fluorophenyl)-3,4-dihydro-2H-quinoline-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CCc2ccccc2N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H19FN2O3S/c23-17-11-13-18(14-12-17)24-22(26)21-15-10-16-6-4-5-9-20(16)25(21)29(27,28)19-7-2-1-3-8-19/h1-9,11-14,21H,10,15H2,(H,24,26)
InChIKeyZBXPAZCQWHGNNE-UHFFFAOYSA-N
XLogP3.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(4-fluorophenyl)-3,4-dihydro-2H-quinoline-2-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(4-fluorophenyl)-3,4-dihydro-2H-quinoline-2-carboxamide (CID 126803928) is 1-(benzenesulfonyl)-N-(4-fluorophenyl)-3,4-dihydro-2H-quinoline-2-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(4-fluorophenyl)-3,4-dihydro-2H-quinoline-2-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(4-fluorophenyl)-3,4-dihydro-2H-quinoline-2-carboxamide is O=C(Nc1ccc(F)cc1)C1CCc2ccccc2N1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(4-fluorophenyl)-3,4-dihydro-2H-quinoline-2-carboxamide?
The InChIKey is ZBXPAZCQWHGNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O3S/c23-17-11-13-18(14-12-17)24-22(26)21-15-10-16-6-4-5-9-20(16)25(21)29(27,28)19-7-2-1-3-8-19/h1-9,11-14,21H,10,15H2,(H,24,26).
What are the key properties of 1-(benzenesulfonyl)-N-(4-fluorophenyl)-3,4-dihydro-2H-quinoline-2-carboxamide?
1-(benzenesulfonyl)-N-(4-fluorophenyl)-3,4-dihydro-2H-quinoline-2-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(4-fluorophenyl)-3,4-dihydro-2H-quinoline-2-carboxamide is sourced from PubChem (CID 126803928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).