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

C20H24ClFN2O2S — CID 16837708

IUPAC3-chloro-4-fluoro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide
SMILESCCCN1CCCc2cc(CCNS(=O)(=O)c3ccc(F)c(Cl)c3)ccc21
InChIInChI=1S/C20H24ClFN2O2S/c1-2-11-24-12-3-4-16-13-15(5-8-20(16)24)9-10-23-27(25,26)17-6-7-19(22)18(21)14-17/h5-8,13-14,23H,2-4,9-12H2,1H3
InChIKeyCZHVLXMIFMKGOH-UHFFFAOYSA-N
MW410.94 g/mol
LogP4.16
Rot. Bonds7

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

3-chloro-4-fluoro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide (PubChem CID 16837708) has the molecular formula C20H24ClFN2O2S and a molecular weight of 410.94 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide
PubChem CID16837708
Molecular FormulaC20H24ClFN2O2S
Molecular Weight410.94 g/mol
Exact Mass410.12
IUPAC Name3-chloro-4-fluoro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide
SMILESCCCN1CCCc2cc(CCNS(=O)(=O)c3ccc(F)c(Cl)c3)ccc21
InChIInChI=1S/C20H24ClFN2O2S/c1-2-11-24-12-3-4-16-13-15(5-8-20(16)24)9-10-23-27(25,26)17-6-7-19(22)18(21)14-17/h5-8,13-14,23H,2-4,9-12H2,1H3
InChIKeyCZHVLXMIFMKGOH-UHFFFAOYSA-N
XLogP4.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.94
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]-4-fluorobenzenesulfonamide
CID 71584155
2-[1-(3-chlorophenyl)sulfonyl-2,3-dihydroindol-5-yl]-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
CID 132240679
4-chloro-N-[4-(4-methylpiperazino)benzyl]benzenesulfonamide
CID 2738592
2-chloro-4-fluoro-N-[4-(4-methylpiperazino)benzyl]benzenesulfonamide
CID 2738595
1-acetyl-N-(4-chloro-2-fluorophenyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 16031522
4-chloro-N-[1-[4-[(dimethylamino)methyl]phenyl]piperidin-4-yl]benzenesulfonamide
CID 91800815
N-(1-Acetyl-1,2,3,4-tetrahydroquinolin-7-YL)-3-chlorobenzene-1-sulfonamide
CID 7517567
3-Chloro-N-[1-(4-methylbenzenesulfonyl)-1,2,3,4-tetrahydroquinolin-6-YL]benzene-1-sulfonamide
CID 16028232
2,5-difluoro-N-(2-(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)ethyl)benzenesulfonamide
CID 16837701
2-fluoro-N-(2-(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)ethyl)benzenesulfonamide
CID 16837703
3-fluoro-N-(2-(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)ethyl)benzenesulfonamide
CID 16837723
4-fluoro-2-methyl-N-(2-(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)ethyl)benzenesulfonamide
CID 16837738

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide (CID 16837708) is 3-chloro-4-fluoro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide is CCCN1CCCc2cc(CCNS(=O)(=O)c3ccc(F)c(Cl)c3)ccc21.
What is the InChIKey of 3-chloro-4-fluoro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide?
The InChIKey is CZHVLXMIFMKGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClFN2O2S/c1-2-11-24-12-3-4-16-13-15(5-8-20(16)24)9-10-23-27(25,26)17-6-7-19(22)18(21)14-17/h5-8,13-14,23H,2-4,9-12H2,1H3.
What are the key properties of 3-chloro-4-fluoro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide?
3-chloro-4-fluoro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide has a molecular weight of 410.94 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 16837708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).