N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-2,3-dihydropyridine-2-sulfonamide

C22H26N4O2S — CID 71108386

About N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-2,3-dihydropyridine-2-sulfonamide

N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-2,3-dihydropyridine-2-sulfonamide (PubChem CID 71108386) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-2,3-dihydropyridine-2-sulfonamide.

Molecular Properties

• Compound Name: N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-2,3-dihydropyridine-2-sulfonamide
• PubChem CID: 71108386
• Molecular Formula: C22H26N4O2S
• Molecular Weight: 410.54 g/mol
• Exact Mass: 410.18
• IUPAC Name: N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-2,3-dihydropyridine-2-sulfonamide
• SMILES: O=S(=O)(NCc1ccc(CNC2CCCc3cccnc32)cc1)C1CC=CC=N1
• InChI: InChI=1S/C22H26N4O2S/c27-29(28,21-8-1-2-13-23-21)26-16-18-11-9-17(10-12-18)15-25-20-7-3-5-19-6-4-14-24-22(19)20/h1-2,4,6,9-14,20-21,25-26H,3,5,7-8,15-16H2
• InChIKey: HNJLQHUNCNVODY-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 83.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.54
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-2,3-dihydropyridine-2-sulfonamide?

The IUPAC name of N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-2,3-dihydropyridine-2-sulfonamide (CID 71108386) is N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-2,3-dihydropyridine-2-sulfonamide.

What is the SMILES notation for N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-2,3-dihydropyridine-2-sulfonamide?

The canonical SMILES for N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-2,3-dihydropyridine-2-sulfonamide is O=S(=O)(NCc1ccc(CNC2CCCc3cccnc32)cc1)C1CC=CC=N1.

What is the InChIKey of N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-2,3-dihydropyridine-2-sulfonamide?

The InChIKey is HNJLQHUNCNVODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c27-29(28,21-8-1-2-13-23-21)26-16-18-11-9-17(10-12-18)15-25-20-7-3-5-19-6-4-14-24-22(19)20/h1-2,4,6,9-14,20-21,25-26H,3,5,7-8,15-16H2.

What are the key properties of N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-2,3-dihydropyridine-2-sulfonamide?

N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-2,3-dihydropyridine-2-sulfonamide has a molecular weight of 410.54 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-2,3-dihydropyridine-2-sulfonamide is sourced from PubChem (CID 71108386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).