N-(pyridin-2-ylmethyl)-3-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide

C22H24N4O2S — CID 10136158

IUPACN-(pyridin-2-ylmethyl)-3-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccccn1)c1cccc(CNC2CCCc3cccnc32)c1
InChIInChI=1S/C22H24N4O2S/c27-29(28,26-16-19-9-1-2-12-23-19)20-10-3-6-17(14-20)15-25-21-11-4-7-18-8-5-13-24-22(18)21/h1-3,5-6,8-10,12-14,21,25-26H,4,7,11,15-16H2
InChIKeyCAKBBZLIJQQWAN-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.12
Rot. Bonds7

About N-(pyridin-2-ylmethyl)-3-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide

N-(pyridin-2-ylmethyl)-3-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide (PubChem CID 10136158) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-3-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-3-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide
PubChem CID10136158
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC NameN-(pyridin-2-ylmethyl)-3-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccccn1)c1cccc(CNC2CCCc3cccnc32)c1
InChIInChI=1S/C22H24N4O2S/c27-29(28,26-16-19-9-1-2-12-23-19)20-10-3-6-17(14-20)15-25-21-11-4-7-18-8-5-13-24-22(18)21/h1-3,5-6,8-10,12-14,21,25-26H,4,7,11,15-16H2
InChIKeyCAKBBZLIJQQWAN-UHFFFAOYSA-N
XLogP3.12
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(pyridin-2-ylmethyl)-3-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-3-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-3-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide (CID 10136158) is N-(pyridin-2-ylmethyl)-3-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-3-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-3-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide is O=S(=O)(NCc1ccccn1)c1cccc(CNC2CCCc3cccnc32)c1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-3-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide?
The InChIKey is CAKBBZLIJQQWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c27-29(28,26-16-19-9-1-2-12-23-19)20-10-3-6-17(14-20)15-25-21-11-4-7-18-8-5-13-24-22(18)21/h1-3,5-6,8-10,12-14,21,25-26H,4,7,11,15-16H2.
What are the key properties of N-(pyridin-2-ylmethyl)-3-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide?
N-(pyridin-2-ylmethyl)-3-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide has a molecular weight of 408.53 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-3-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 10136158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).