2-amino-N,N-dimethyl-5-[4-(3-sulfamoylphenyl)quinolin-6-yl]pyridine-3-sulfonamide

C22H21N5O4S2 — CID 44526922

IUPAC2-amino-N,N-dimethyl-5-[4-(3-sulfamoylphenyl)quinolin-6-yl]pyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1cc(-c2ccc3nccc(-c4cccc(S(N)(=O)=O)c4)c3c2)cnc1N
InChIInChI=1S/C22H21N5O4S2/c1-27(2)33(30,31)21-12-16(13-26-22(21)23)14-6-7-20-19(11-14)18(8-9-25-20)15-4-3-5-17(10-15)32(24,28)29/h3-13H,1-2H3,(H2,23,26)(H2,24,28,29)
InChIKeyGUTGEMORYRGQDD-UHFFFAOYSA-N
MW483.58 g/mol
LogP2.44
Rot. Bonds5

About 2-amino-N,N-dimethyl-5-[4-(3-sulfamoylphenyl)quinolin-6-yl]pyridine-3-sulfonamide

2-amino-N,N-dimethyl-5-[4-(3-sulfamoylphenyl)quinolin-6-yl]pyridine-3-sulfonamide (PubChem CID 44526922) has the molecular formula C22H21N5O4S2 and a molecular weight of 483.58 g/mol. Its IUPAC name is 2-amino-N,N-dimethyl-5-[4-(3-sulfamoylphenyl)quinolin-6-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-N,N-dimethyl-5-[4-(3-sulfamoylphenyl)quinolin-6-yl]pyridine-3-sulfonamide
PubChem CID44526922
Molecular FormulaC22H21N5O4S2
Molecular Weight483.58 g/mol
Exact Mass483.10
IUPAC Name2-amino-N,N-dimethyl-5-[4-(3-sulfamoylphenyl)quinolin-6-yl]pyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1cc(-c2ccc3nccc(-c4cccc(S(N)(=O)=O)c4)c3c2)cnc1N
InChIInChI=1S/C22H21N5O4S2/c1-27(2)33(30,31)21-12-16(13-26-22(21)23)14-6-7-20-19(11-14)18(8-9-25-20)15-4-3-5-17(10-15)32(24,28)29/h3-13H,1-2H3,(H2,23,26)(H2,24,28,29)
InChIKeyGUTGEMORYRGQDD-UHFFFAOYSA-N
XLogP2.44
TPSA149.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.58
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-amino-N,N-dimethyl-5-[4-(3-sulfamoylphenyl)quinolin-6-yl]pyridine-3-sulfonamide 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 2-amino-N,N-dimethyl-5-[4-(3-sulfamoylphenyl)quinolin-6-yl]pyridine-3-sulfonamide?
The IUPAC name of 2-amino-N,N-dimethyl-5-[4-(3-sulfamoylphenyl)quinolin-6-yl]pyridine-3-sulfonamide (CID 44526922) is 2-amino-N,N-dimethyl-5-[4-(3-sulfamoylphenyl)quinolin-6-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-N,N-dimethyl-5-[4-(3-sulfamoylphenyl)quinolin-6-yl]pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-N,N-dimethyl-5-[4-(3-sulfamoylphenyl)quinolin-6-yl]pyridine-3-sulfonamide is CN(C)S(=O)(=O)c1cc(-c2ccc3nccc(-c4cccc(S(N)(=O)=O)c4)c3c2)cnc1N.
What is the InChIKey of 2-amino-N,N-dimethyl-5-[4-(3-sulfamoylphenyl)quinolin-6-yl]pyridine-3-sulfonamide?
The InChIKey is GUTGEMORYRGQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O4S2/c1-27(2)33(30,31)21-12-16(13-26-22(21)23)14-6-7-20-19(11-14)18(8-9-25-20)15-4-3-5-17(10-15)32(24,28)29/h3-13H,1-2H3,(H2,23,26)(H2,24,28,29).
What are the key properties of 2-amino-N,N-dimethyl-5-[4-(3-sulfamoylphenyl)quinolin-6-yl]pyridine-3-sulfonamide?
2-amino-N,N-dimethyl-5-[4-(3-sulfamoylphenyl)quinolin-6-yl]pyridine-3-sulfonamide has a molecular weight of 483.58 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-dimethyl-5-[4-(3-sulfamoylphenyl)quinolin-6-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 44526922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).