N-[1-fluoro-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide

C22H29FN2O2S — CID 70947769

IUPACN-[1-fluoro-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC(CF)CN2CCCc3cc(C)ccc32)c(C)c1
InChIInChI=1S/C22H29FN2O2S/c1-15-7-8-21-19(12-15)6-5-9-25(21)14-20(13-23)24-28(26,27)22-17(3)10-16(2)11-18(22)4/h7-8,10-12,20,24H,5-6,9,13-14H2,1-4H3
InChIKeyQYXFKRCWBLDAFO-UHFFFAOYSA-N
MW404.55 g/mol
LogP3.99
Rot. Bonds6

About N-[1-fluoro-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide

N-[1-fluoro-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 70947769) has the molecular formula C22H29FN2O2S and a molecular weight of 404.55 g/mol. Its IUPAC name is N-[1-fluoro-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-fluoro-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID70947769
Molecular FormulaC22H29FN2O2S
Molecular Weight404.55 g/mol
Exact Mass404.19
IUPAC NameN-[1-fluoro-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC(CF)CN2CCCc3cc(C)ccc32)c(C)c1
InChIInChI=1S/C22H29FN2O2S/c1-15-7-8-21-19(12-15)6-5-9-25(21)14-20(13-23)24-28(26,27)22-17(3)10-16(2)11-18(22)4/h7-8,10-12,20,24H,5-6,9,13-14H2,1-4H3
InChIKeyQYXFKRCWBLDAFO-UHFFFAOYSA-N
XLogP3.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.55
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-fluoro-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide 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

2,4,6-trimethyl-N-[3-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-yl]benzenesulfonamide
CID 25205133
N-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-amine
CID 62041176
2-methyl-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 43538734
3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propylamino)propan-1-ol
CID 64796022
1-methoxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-amine
CID 81102110
N-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 14511671
1-amino-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
CID 24698210
1-(cyclopropylamino)-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
CID 43343115
ethane;1-ethyl-6-methyl-3,4-dihydro-2H-quinoline
CID 143643901
N-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]propan-2-amine
CID 60841491
N-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]butan-2-amine
CID 60854306
potassium trifluoro-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]boranuide
CID 63702785

Frequently Asked Questions

What is the IUPAC name of N-[1-fluoro-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[1-fluoro-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide (CID 70947769) is N-[1-fluoro-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[1-fluoro-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[1-fluoro-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NC(CF)CN2CCCc3cc(C)ccc32)c(C)c1.
What is the InChIKey of N-[1-fluoro-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is QYXFKRCWBLDAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O2S/c1-15-7-8-21-19(12-15)6-5-9-25(21)14-20(13-23)24-28(26,27)22-17(3)10-16(2)11-18(22)4/h7-8,10-12,20,24H,5-6,9,13-14H2,1-4H3.
What are the key properties of N-[1-fluoro-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide?
N-[1-fluoro-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 404.55 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-fluoro-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 70947769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).