N-[(2S,3S)-2-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinolin-3-yl]-4-methylbenzenesulfonamide

C23H24N2O3S — CID 102127684

IUPACN-[(2S,3S)-2-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinolin-3-yl]-4-methylbenzenesulfonamide
SMILESCOc1ccc([C@@H]2Nc3ccccc3C[C@@H]2NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H24N2O3S/c1-16-7-13-20(14-8-16)29(26,27)25-22-15-18-5-3-4-6-21(18)24-23(22)17-9-11-19(28-2)12-10-17/h3-14,22-25H,15H2,1-2H3/t22-,23-/m0/s1
InChIKeyAWMZPXMYGYLXAY-GOTSBHOMSA-N
MW408.52 g/mol
LogP4.06
Rot. Bonds5

About N-[(2S,3S)-2-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinolin-3-yl]-4-methylbenzenesulfonamide

N-[(2S,3S)-2-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinolin-3-yl]-4-methylbenzenesulfonamide (PubChem CID 102127684) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-[(2S,3S)-2-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinolin-3-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S,3S)-2-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinolin-3-yl]-4-methylbenzenesulfonamide
PubChem CID102127684
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC NameN-[(2S,3S)-2-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinolin-3-yl]-4-methylbenzenesulfonamide
SMILESCOc1ccc([C@@H]2Nc3ccccc3C[C@@H]2NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H24N2O3S/c1-16-7-13-20(14-8-16)29(26,27)25-22-15-18-5-3-4-6-21(18)24-23(22)17-9-11-19(28-2)12-10-17/h3-14,22-25H,15H2,1-2H3/t22-,23-/m0/s1
InChIKeyAWMZPXMYGYLXAY-GOTSBHOMSA-N
XLogP4.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S,3S)-2-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinolin-3-yl]-4-methylbenzenesulfonamide with MolForge

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Related Compounds

4-methoxy-N-[(1S,2S)-2-[(4-methoxyphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 101075407
N-[2-(4-methoxyanilino)cyclohexyl]-4-methylbenzenesulfonamide
CID 23604885
(2R,3R)-2-(4-methoxyphenyl)-3-prop-1-en-2-yl-1,2,3,4-tetrahydroquinoline
CID 71606353
N-[(1R,2S,3R)-3-methoxy-2-phenylcyclohexyl]-4-methylbenzenesulfonamide
CID 101495725
N-[(1R,2R)-1-chloro-2,3-dihydro-1H-inden-2-yl]-4-methylbenzenesulfonamide
CID 11558812
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide
CID 165430397
(2S,3S)-2-(4-methoxyphenyl)-3-(trifluoromethylsulfanyl)-1,2,3,4-tetrahydroquinoline
CID 132565219
N-[2-(4-methoxyphenyl)-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]-4-methylbenzenesulfonamide
CID 3744084
4-methoxy-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide
CID 154859038
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-4-methoxybenzenesulfonamide
CID 110125489
N-[[(2S,3S)-2-(4-methoxyphenyl)oxolan-3-yl]methyl]-4-methylbenzenesulfonamide
CID 122230316
N-[(1R,2R)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide
CID 11230584

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinolin-3-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2S,3S)-2-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinolin-3-yl]-4-methylbenzenesulfonamide (CID 102127684) is N-[(2S,3S)-2-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinolin-3-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2S,3S)-2-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinolin-3-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2S,3S)-2-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinolin-3-yl]-4-methylbenzenesulfonamide is COc1ccc([C@@H]2Nc3ccccc3C[C@@H]2NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(2S,3S)-2-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinolin-3-yl]-4-methylbenzenesulfonamide?
The InChIKey is AWMZPXMYGYLXAY-GOTSBHOMSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-16-7-13-20(14-8-16)29(26,27)25-22-15-18-5-3-4-6-21(18)24-23(22)17-9-11-19(28-2)12-10-17/h3-14,22-25H,15H2,1-2H3/t22-,23-/m0/s1.
What are the key properties of N-[(2S,3S)-2-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinolin-3-yl]-4-methylbenzenesulfonamide?
N-[(2S,3S)-2-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinolin-3-yl]-4-methylbenzenesulfonamide has a molecular weight of 408.52 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-2-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinolin-3-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 102127684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).