3-fluoro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide

C20H25FN2O2S — CID 16837723

IUPAC3-fluoro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide
SMILESCCCN1CCCc2cc(CCNS(=O)(=O)c3cccc(F)c3)ccc21
InChIInChI=1S/C20H25FN2O2S/c1-2-12-23-13-4-5-17-14-16(8-9-20(17)23)10-11-22-26(24,25)19-7-3-6-18(21)15-19/h3,6-9,14-15,22H,2,4-5,10-13H2,1H3
InChIKeyXVXRJWWBMTXZCB-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.51
Rot. Bonds7

About 3-fluoro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide

3-fluoro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide (PubChem CID 16837723) has the molecular formula C20H25FN2O2S and a molecular weight of 376.50 g/mol. Its IUPAC name is 3-fluoro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide
PubChem CID16837723
Molecular FormulaC20H25FN2O2S
Molecular Weight376.50 g/mol
Exact Mass376.16
IUPAC Name3-fluoro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide
SMILESCCCN1CCCc2cc(CCNS(=O)(=O)c3cccc(F)c3)ccc21
InChIInChI=1S/C20H25FN2O2S/c1-2-12-23-13-4-5-17-14-16(8-9-20(17)23)10-11-22-26(24,25)19-7-3-6-18(21)15-19/h3,6-9,14-15,22H,2,4-5,10-13H2,1H3
InChIKeyXVXRJWWBMTXZCB-UHFFFAOYSA-N
XLogP3.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide (CID 16837723) is 3-fluoro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide is CCCN1CCCc2cc(CCNS(=O)(=O)c3cccc(F)c3)ccc21.
What is the InChIKey of 3-fluoro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide?
The InChIKey is XVXRJWWBMTXZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2S/c1-2-12-23-13-4-5-17-14-16(8-9-20(17)23)10-11-22-26(24,25)19-7-3-6-18(21)15-19/h3,6-9,14-15,22H,2,4-5,10-13H2,1H3.
What are the key properties of 3-fluoro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide?
3-fluoro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide has a molecular weight of 376.50 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 16837723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).