4-[(8-hydroxy-5-morpholin-4-ylsulfonylquinolin-7-yl)diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide

C23H21N7O6S2 — CID 136740263

IUPAC4-[(8-hydroxy-5-morpholin-4-ylsulfonylquinolin-7-yl)diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ncccn1)c1ccc(/N=N/c2cc(S(=O)(=O)N3CCOCC3)c3cccnc3c2O)cc1
InChIInChI=1S/C23H21N7O6S2/c31-22-19(15-20(18-3-1-8-24-21(18)22)38(34,35)30-11-13-36-14-12-30)28-27-16-4-6-17(7-5-16)37(32,33)29-23-25-9-2-10-26-23/h1-10,15,31H,11-14H2,(H,25,26,29)/b28-27+
InChIKeyHICBSXLZJCYAKD-BYYHNAKLSA-N
MW555.60 g/mol
LogP2.97
Rot. Bonds7

About 4-[(8-hydroxy-5-morpholin-4-ylsulfonylquinolin-7-yl)diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide

4-[(8-hydroxy-5-morpholin-4-ylsulfonylquinolin-7-yl)diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide (PubChem CID 136740263) has the molecular formula C23H21N7O6S2 and a molecular weight of 555.60 g/mol. Its IUPAC name is 4-[(8-hydroxy-5-morpholin-4-ylsulfonylquinolin-7-yl)diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(8-hydroxy-5-morpholin-4-ylsulfonylquinolin-7-yl)diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide
PubChem CID136740263
Molecular FormulaC23H21N7O6S2
Molecular Weight555.60 g/mol
Exact Mass555.10
IUPAC Name4-[(8-hydroxy-5-morpholin-4-ylsulfonylquinolin-7-yl)diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ncccn1)c1ccc(/N=N/c2cc(S(=O)(=O)N3CCOCC3)c3cccnc3c2O)cc1
InChIInChI=1S/C23H21N7O6S2/c31-22-19(15-20(18-3-1-8-24-21(18)22)38(34,35)30-11-13-36-14-12-30)28-27-16-4-6-17(7-5-16)37(32,33)29-23-25-9-2-10-26-23/h1-10,15,31H,11-14H2,(H,25,26,29)/b28-27+
InChIKeyHICBSXLZJCYAKD-BYYHNAKLSA-N
XLogP2.97
TPSA176.40 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.60
LogP ≤ 52.97
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-(1,3-thiazol-2-yl)benzenesulfonamide
CID 136740266
N-(4,6-dimethylpyrimidin-2-yl)-4-[(8-hydroxy-5-piperidin-1-ylsulfonylquinolin-7-yl)diazenyl]benzenesulfonamide
CID 136740257
2-chloro-5-morpholin-4-ylsulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 99942897
2-bromo-4-tert-butyl-6-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]phenol
CID 4537341
4-[(2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide
CID 135489321
8-hydroxy-7-[[5-[(4-isocyanophenyl)diazenyl]quinolin-8-yl]diazenyl]quinoline-5-sulfonic acid
CID 135974886
8-hydroxy-7-[(2,3,4,5,6-pentafluorophenyl)diazenyl]quinoline-5-sulfonic acid
CID 135974849
5-[(8-hydroxy-5-sulfoquinolin-7-yl)diazenyl]naphthalene-1-sulfinate
CID 137142938
4-(methylideneamino)-N-pyrimidin-2-ylbenzenesulfonamide
CID 66656852
3-(1,4-oxazepan-4-ylsulfonyl)-N-propylpyridin-2-amine
CID 62966790
N-(2-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 167792664
8-hydroxy-7-[(2-methylsulfanylphenyl)diazenyl]quinoline-5-sulfonic acid
CID 136704038

Frequently Asked Questions

What is the IUPAC name of 4-[(8-hydroxy-5-morpholin-4-ylsulfonylquinolin-7-yl)diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide?
The IUPAC name of 4-[(8-hydroxy-5-morpholin-4-ylsulfonylquinolin-7-yl)diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide (CID 136740263) is 4-[(8-hydroxy-5-morpholin-4-ylsulfonylquinolin-7-yl)diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[(8-hydroxy-5-morpholin-4-ylsulfonylquinolin-7-yl)diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[(8-hydroxy-5-morpholin-4-ylsulfonylquinolin-7-yl)diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide is O=S(=O)(Nc1ncccn1)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-pyrimidin-2-ylbenzenesulfonamide?
The InChIKey is HICBSXLZJCYAKD-BYYHNAKLSA-N. The full InChI is InChI=1S/C23H21N7O6S2/c31-22-19(15-20(18-3-1-8-24-21(18)22)38(34,35)30-11-13-36-14-12-30)28-27-16-4-6-17(7-5-16)37(32,33)29-23-25-9-2-10-26-23/h1-10,15,31H,11-14H2,(H,25,26,29)/b28-27+.
What are the key properties of 4-[(8-hydroxy-5-morpholin-4-ylsulfonylquinolin-7-yl)diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide?
4-[(8-hydroxy-5-morpholin-4-ylsulfonylquinolin-7-yl)diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide has a molecular weight of 555.60 g/mol, XLogP of 2.97, 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-pyrimidin-2-ylbenzenesulfonamide is sourced from PubChem (CID 136740263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).