4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide

C21H28N2O2S — CID 126838243

IUPAC4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide
SMILESCC(C)C(C)NS(=O)(=O)c1ccc(CN2CCCc3ccccc32)cc1
InChIInChI=1S/C21H28N2O2S/c1-16(2)17(3)22-26(24,25)20-12-10-18(11-13-20)15-23-14-6-8-19-7-4-5-9-21(19)23/h4-5,7,9-13,16-17,22H,6,8,14-15H2,1-3H3
InChIKeyXJPYCMAHUITUGJ-UHFFFAOYSA-N
MW372.53 g/mol
LogP3.96
Rot. Bonds6

About 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide

4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide (PubChem CID 126838243) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide
PubChem CID126838243
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC Name4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide
SMILESCC(C)C(C)NS(=O)(=O)c1ccc(CN2CCCc3ccccc32)cc1
InChIInChI=1S/C21H28N2O2S/c1-16(2)17(3)22-26(24,25)20-12-10-18(11-13-20)15-23-14-6-8-19-7-4-5-9-21(19)23/h4-5,7,9-13,16-17,22H,6,8,14-15H2,1-3H3
InChIKeyXJPYCMAHUITUGJ-UHFFFAOYSA-N
XLogP3.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(3-methylbutan-2-yl)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

4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzamide
CID 92683297
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
CID 38009605
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 92682372
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]benzamide
CID 38018400
[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)phenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 99950717
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 18134740
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 43876256
N-[(2R)-3-methylbutan-2-yl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 41200777
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[3-(dimethylamino)propyl]benzamide
CID 92682379
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[(1R)-1-phenylpropyl]benzamide
CID 30400404
N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-propan-2-ylsulfonylpropanamide
CID 55965309
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 43916498

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide (CID 126838243) is 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide is CC(C)C(C)NS(=O)(=O)c1ccc(CN2CCCc3ccccc32)cc1.
What is the InChIKey of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is XJPYCMAHUITUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-16(2)17(3)22-26(24,25)20-12-10-18(11-13-20)15-23-14-6-8-19-7-4-5-9-21(19)23/h4-5,7,9-13,16-17,22H,6,8,14-15H2,1-3H3.
What are the key properties of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide?
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 372.53 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 126838243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).