N-benzyl-3-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide

C23H25N3O2S — CID 59826223

IUPACN-benzyl-3-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1cccc(CNC2CCCc3cccnc32)c1
InChIInChI=1S/C23H25N3O2S/c27-29(28,26-17-18-7-2-1-3-8-18)21-12-4-9-19(15-21)16-25-22-13-5-10-20-11-6-14-24-23(20)22/h1-4,6-9,11-12,14-15,22,25-26H,5,10,13,16-17H2
InChIKeyWZQFSTDKVUSULN-UHFFFAOYSA-N
MW407.54 g/mol
LogP3.73
Rot. Bonds7

About N-benzyl-3-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide

N-benzyl-3-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide (PubChem CID 59826223) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is N-benzyl-3-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-3-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide
PubChem CID59826223
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC NameN-benzyl-3-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1cccc(CNC2CCCc3cccnc32)c1
InChIInChI=1S/C23H25N3O2S/c27-29(28,26-17-18-7-2-1-3-8-18)21-12-4-9-19(15-21)16-25-22-13-5-10-20-11-6-14-24-23(20)22/h1-4,6-9,11-12,14-15,22,25-26H,5,10,13,16-17H2
InChIKeyWZQFSTDKVUSULN-UHFFFAOYSA-N
XLogP3.73
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-benzyl-3-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide with MolForge

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Related Compounds

N-(pyridin-2-ylmethyl)-3-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide
CID 10136158
(8S)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 11736560
N-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 79078877
N-benzyl-N-methyl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide
CID 71050435
N-[2-(diethylamino)ethyl]-3-[[[2-[[4-[3-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]sulfonylpiperazin-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]benzenesulfonamide
CID 145471412
N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-2,3-dihydropyridine-2-sulfonamide
CID 71108386
N-[4-(2-methoxyethyl)phenyl]-N-methyl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide
CID 71050433
N-[[5-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]pyrazin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 74539206
N-ethyl-3-[[(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)amino]methyl]benzenesulfonamide
CID 154787187
N-pyridin-2-yl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzamide
CID 10133044
N-[[4-(2-methoxyphenyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 142661060
N-(cyclopentylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079348

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide?
The IUPAC name of N-benzyl-3-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide (CID 59826223) is N-benzyl-3-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-3-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide?
The canonical SMILES for N-benzyl-3-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide is O=S(=O)(NCc1ccccc1)c1cccc(CNC2CCCc3cccnc32)c1.
What is the InChIKey of N-benzyl-3-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide?
The InChIKey is WZQFSTDKVUSULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c27-29(28,26-17-18-7-2-1-3-8-18)21-12-4-9-19(15-21)16-25-22-13-5-10-20-11-6-14-24-23(20)22/h1-4,6-9,11-12,14-15,22,25-26H,5,10,13,16-17H2.
What are the key properties of N-benzyl-3-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide?
N-benzyl-3-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide has a molecular weight of 407.54 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 59826223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).