4-[(8-hydroxy-5-morpholin-4-ylsulfonylquinolin-7-yl)diazenyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C22H20N6O6S3 — CID 136740266

IUPAC4-[(8-hydroxy-5-morpholin-4-ylsulfonylquinolin-7-yl)diazenyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1ccc(/N=N/c2cc(S(=O)(=O)N3CCOCC3)c3cccnc3c2O)cc1
InChIInChI=1S/C22H20N6O6S3/c29-21-18(26-25-15-3-5-16(6-4-15)36(30,31)27-22-24-8-13-35-22)14-19(17-2-1-7-23-20(17)21)37(32,33)28-9-11-34-12-10-28/h1-8,13-14,29H,9-12H2,(H,24,27)/b26-25+
InChIKeyYQULKHNCEIXVBI-OCEACIFDSA-N
MW560.64 g/mol
LogP3.63
Rot. Bonds7

About 4-[(8-hydroxy-5-morpholin-4-ylsulfonylquinolin-7-yl)diazenyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[(8-hydroxy-5-morpholin-4-ylsulfonylquinolin-7-yl)diazenyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 136740266) has the molecular formula C22H20N6O6S3 and a molecular weight of 560.64 g/mol. Its IUPAC name is 4-[(8-hydroxy-5-morpholin-4-ylsulfonylquinolin-7-yl)diazenyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(8-hydroxy-5-morpholin-4-ylsulfonylquinolin-7-yl)diazenyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID136740266
Molecular FormulaC22H20N6O6S3
Molecular Weight560.64 g/mol
Exact Mass560.06
IUPAC Name4-[(8-hydroxy-5-morpholin-4-ylsulfonylquinolin-7-yl)diazenyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1ccc(/N=N/c2cc(S(=O)(=O)N3CCOCC3)c3cccnc3c2O)cc1
InChIInChI=1S/C22H20N6O6S3/c29-21-18(26-25-15-3-5-16(6-4-15)36(30,31)27-22-24-8-13-35-22)14-19(17-2-1-7-23-20(17)21)37(32,33)28-9-11-34-12-10-28/h1-8,13-14,29H,9-12H2,(H,24,27)/b26-25+
InChIKeyYQULKHNCEIXVBI-OCEACIFDSA-N
XLogP3.63
TPSA163.51 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.64
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-[(8-hydroxy-5-morpholin-4-ylsulfonylquinolin-7-yl)diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide
CID 136740263
5-amino-8-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]diazenyl]naphthalene-2-sulfonic acid
CID 171716520
4-[3-(5,7-dichloroquinolin-8-yl)oxy-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 159642068
1-(4-morpholin-4-ylquinazolin-2-yl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea
CID 162651286
4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid
CID 174831495
1-(3-morpholin-4-ylsulfonylphenyl)-2-(1,3-thiazol-2-ylamino)ethanone
CID 110824781
N-(1,3-thiazol-2-yl)-4-(1-thiophen-2-ylethylideneamino)benzenesulfonamide
CID 10919389
4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 1157126
4-methyl-3-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 7035921
2-bromo-4-tert-butyl-6-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]phenol
CID 4537341
4-(2,5-dihydroxypyrrol-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 54037138
4-methoxy-3-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 1107091

Frequently Asked Questions

What is the IUPAC name of 4-[(8-hydroxy-5-morpholin-4-ylsulfonylquinolin-7-yl)diazenyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[(8-hydroxy-5-morpholin-4-ylsulfonylquinolin-7-yl)diazenyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 136740266) is 4-[(8-hydroxy-5-morpholin-4-ylsulfonylquinolin-7-yl)diazenyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[(8-hydroxy-5-morpholin-4-ylsulfonylquinolin-7-yl)diazenyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[(8-hydroxy-5-morpholin-4-ylsulfonylquinolin-7-yl)diazenyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nccs1)c1ccc(/N=N/c2cc(S(=O)(=O)N3CCOCC3)c3cccnc3c2O)cc1.
What is the InChIKey of 4-[(8-hydroxy-5-morpholin-4-ylsulfonylquinolin-7-yl)diazenyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is YQULKHNCEIXVBI-OCEACIFDSA-N. The full InChI is InChI=1S/C22H20N6O6S3/c29-21-18(26-25-15-3-5-16(6-4-15)36(30,31)27-22-24-8-13-35-22)14-19(17-2-1-7-23-20(17)21)37(32,33)28-9-11-34-12-10-28/h1-8,13-14,29H,9-12H2,(H,24,27)/b26-25+.
What are the key properties of 4-[(8-hydroxy-5-morpholin-4-ylsulfonylquinolin-7-yl)diazenyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[(8-hydroxy-5-morpholin-4-ylsulfonylquinolin-7-yl)diazenyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 560.64 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-hydroxy-5-morpholin-4-ylsulfonylquinolin-7-yl)diazenyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 136740266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).