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

C21H27FN2O2S — CID 16837738

IUPAC4-fluoro-2-methyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide
SMILESCCCN1CCCc2cc(CCNS(=O)(=O)c3ccc(F)cc3C)ccc21
InChIInChI=1S/C21H27FN2O2S/c1-3-12-24-13-4-5-18-15-17(6-8-20(18)24)10-11-23-27(25,26)21-9-7-19(22)14-16(21)2/h6-9,14-15,23H,3-5,10-13H2,1-2H3
InChIKeyBUIDFDSKKRNMHF-UHFFFAOYSA-N
MW390.52 g/mol
LogP3.82
Rot. Bonds7

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

4-fluoro-2-methyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide (PubChem CID 16837738) has the molecular formula C21H27FN2O2S and a molecular weight of 390.52 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide
PubChem CID16837738
Molecular FormulaC21H27FN2O2S
Molecular Weight390.52 g/mol
Exact Mass390.18
IUPAC Name4-fluoro-2-methyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide
SMILESCCCN1CCCc2cc(CCNS(=O)(=O)c3ccc(F)cc3C)ccc21
InChIInChI=1S/C21H27FN2O2S/c1-3-12-24-13-4-5-18-15-17(6-8-20(18)24)10-11-23-27(25,26)21-9-7-19(22)14-16(21)2/h6-9,14-15,23H,3-5,10-13H2,1-2H3
InChIKeyBUIDFDSKKRNMHF-UHFFFAOYSA-N
XLogP3.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[4-(4-methylpiperazino)benzyl]benzenesulfonamide
CID 2738590
1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 2078021
4-(3,4-dihydroquinolin-1(2H)-ylsulfonyl)aniline
CID 221221
6-(Dimethylamino)-3-phenyl-2,3-dihydronaphtho[1,8-de][1,2]thiazine 1,1-dioxide (7a)
CID 126842699
6-(Dimethylamino)-3-(4'-methylphenyl)-2,3-dihydronaphtho[1,8-de][1,2]thiazine 1,1-dioxide (7c)
CID 126842701
4-(2-{[4-(Dimethylamino)benzyl]amino}ethyl)benzenesulfonamide hydrochloride
CID 4723880
1-[(2,4-Dimethylphenyl)sulfonyl]-4-phenylpiperazine
CID 775783
N-[4-(4-methylpiperazino)benzyl]benzenesulfonamide
CID 2738589
5-fluoro-2-methyl-N-[4-(4-methylpiperazino)benzyl]benzenesulfonamide
CID 2738594
N-{4-[(6-fluoro-2-methyl-3,4-dihydro-1(2H)-quinolinyl)sulfonyl]phenyl}acetamide
CID 2931012
5-(2-fluorophenyl)sulfonyl-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole
CID 16304086
1-[(4-Fluoro-3-methylphenyl)sulfonyl]-4-(2-methylphenyl)piperazine
CID 1259136

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide (CID 16837738) is 4-fluoro-2-methyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide is CCCN1CCCc2cc(CCNS(=O)(=O)c3ccc(F)cc3C)ccc21.
What is the InChIKey of 4-fluoro-2-methyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide?
The InChIKey is BUIDFDSKKRNMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O2S/c1-3-12-24-13-4-5-18-15-17(6-8-20(18)24)10-11-23-27(25,26)21-9-7-19(22)14-16(21)2/h6-9,14-15,23H,3-5,10-13H2,1-2H3.
What are the key properties of 4-fluoro-2-methyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide?
4-fluoro-2-methyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide has a molecular weight of 390.52 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 16837738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).