3-(benzenesulfonyl)-N,N-diethyl-6-fluoroquinolin-4-amine

C19H19FN2O2S — CID 7184102

IUPAC3-(benzenesulfonyl)-N,N-diethyl-6-fluoroquinolin-4-amine
SMILESCCN(CC)c1c(S(=O)(=O)c2ccccc2)cnc2ccc(F)cc12
InChIInChI=1S/C19H19FN2O2S/c1-3-22(4-2)19-16-12-14(20)10-11-17(16)21-13-18(19)25(23,24)15-8-6-5-7-9-15/h5-13H,3-4H2,1-2H3
InChIKeyQLWUQJSXZRLDHZ-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.05
Rot. Bonds5

About 3-(benzenesulfonyl)-N,N-diethyl-6-fluoroquinolin-4-amine

3-(benzenesulfonyl)-N,N-diethyl-6-fluoroquinolin-4-amine (PubChem CID 7184102) has the molecular formula C19H19FN2O2S and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N,N-diethyl-6-fluoroquinolin-4-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N,N-diethyl-6-fluoroquinolin-4-amine
PubChem CID7184102
Molecular FormulaC19H19FN2O2S
Molecular Weight358.44 g/mol
Exact Mass358.12
IUPAC Name3-(benzenesulfonyl)-N,N-diethyl-6-fluoroquinolin-4-amine
SMILESCCN(CC)c1c(S(=O)(=O)c2ccccc2)cnc2ccc(F)cc12
InChIInChI=1S/C19H19FN2O2S/c1-3-22(4-2)19-16-12-14(20)10-11-17(16)21-13-18(19)25(23,24)15-8-6-5-7-9-15/h5-13H,3-4H2,1-2H3
InChIKeyQLWUQJSXZRLDHZ-UHFFFAOYSA-N
XLogP4.05
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N,N-diethyl-6-fluoroquinolin-4-amine?
The IUPAC name of 3-(benzenesulfonyl)-N,N-diethyl-6-fluoroquinolin-4-amine (CID 7184102) is 3-(benzenesulfonyl)-N,N-diethyl-6-fluoroquinolin-4-amine.
What is the SMILES notation for 3-(benzenesulfonyl)-N,N-diethyl-6-fluoroquinolin-4-amine?
The canonical SMILES for 3-(benzenesulfonyl)-N,N-diethyl-6-fluoroquinolin-4-amine is CCN(CC)c1c(S(=O)(=O)c2ccccc2)cnc2ccc(F)cc12.
What is the InChIKey of 3-(benzenesulfonyl)-N,N-diethyl-6-fluoroquinolin-4-amine?
The InChIKey is QLWUQJSXZRLDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2S/c1-3-22(4-2)19-16-12-14(20)10-11-17(16)21-13-18(19)25(23,24)15-8-6-5-7-9-15/h5-13H,3-4H2,1-2H3.
What are the key properties of 3-(benzenesulfonyl)-N,N-diethyl-6-fluoroquinolin-4-amine?
3-(benzenesulfonyl)-N,N-diethyl-6-fluoroquinolin-4-amine has a molecular weight of 358.44 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N,N-diethyl-6-fluoroquinolin-4-amine is sourced from PubChem (CID 7184102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).