2,5-difluoro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide

C20H24F2N2O2S — CID 16837701

IUPAC2,5-difluoro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide
SMILESCCCN1CCCc2cc(CCNS(=O)(=O)c3cc(F)ccc3F)ccc21
InChIInChI=1S/C20H24F2N2O2S/c1-2-11-24-12-3-4-16-13-15(5-8-19(16)24)9-10-23-27(25,26)20-14-17(21)6-7-18(20)22/h5-8,13-14,23H,2-4,9-12H2,1H3
InChIKeyJDMXITQCUDKJND-UHFFFAOYSA-N
MW394.49 g/mol
LogP3.65
Rot. Bonds7

About 2,5-difluoro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide

2,5-difluoro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide (PubChem CID 16837701) has the molecular formula C20H24F2N2O2S and a molecular weight of 394.49 g/mol. Its IUPAC name is 2,5-difluoro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide
PubChem CID16837701
Molecular FormulaC20H24F2N2O2S
Molecular Weight394.49 g/mol
Exact Mass394.15
IUPAC Name2,5-difluoro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide
SMILESCCCN1CCCc2cc(CCNS(=O)(=O)c3cc(F)ccc3F)ccc21
InChIInChI=1S/C20H24F2N2O2S/c1-2-11-24-12-3-4-16-13-15(5-8-19(16)24)9-10-23-27(25,26)20-14-17(21)6-7-18(20)22/h5-8,13-14,23H,2-4,9-12H2,1H3
InChIKeyJDMXITQCUDKJND-UHFFFAOYSA-N
XLogP3.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide (CID 16837701) is 2,5-difluoro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide is CCCN1CCCc2cc(CCNS(=O)(=O)c3cc(F)ccc3F)ccc21.
What is the InChIKey of 2,5-difluoro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide?
The InChIKey is JDMXITQCUDKJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O2S/c1-2-11-24-12-3-4-16-13-15(5-8-19(16)24)9-10-23-27(25,26)20-14-17(21)6-7-18(20)22/h5-8,13-14,23H,2-4,9-12H2,1H3.
What are the key properties of 2,5-difluoro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide?
2,5-difluoro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide has a molecular weight of 394.49 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 16837701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).