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

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Related Compounds

N-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide
CID 16750106
1-Guanidino-7-phenylsulphamoylisoquinoline
CID 16658631
8-(3''-Methanesulfonyl-biphenyl-3-yl)-6-(1-methanesulfonyl-1-methyl-ethyl)-quinoline
CID 10254542
N-(4-isopropylphenyl)quinoline-8-sulfonamide
CID 4093866
8-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)quinoline
CID 2870276
3-(8-Methylquinolin-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
CID 57384537
N-(3-(6-(pyridin-4-ylmethyl)quinolin-8-yl)phenyl)benzenesulfonamide
CID 10195164
3-(4-Morpholinylsulfonyl)-5-[4-(4-pyridinyl)-6-quinolinyl]-2-pyridinamine
CID 25121268
3-(1-Piperidinylsulfonyl)-5-[4-(4-pyridinyl)-6-quinolinyl]-2-pyridinamine
CID 44526983
5-(4-Methylsulfonylphenyl)-3-quinoxalin-6-ylpyridin-2-amine
CID 53311218
1-(3-Methylphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
CID 90469187
1-(Benzenesulfonyl)-4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]quinoline
CID 90469319

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).