4-[[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-yl]amino]phenol

C25H24N4O4S — CID 1394896

IUPAC4-[[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-yl]amino]phenol
SMILESCc1ccc(-c2nnc(Nc3ccc(O)cc3)c3ccccc23)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C25H24N4O4S/c1-17-6-7-18(16-23(17)34(31,32)29-12-14-33-15-13-29)24-21-4-2-3-5-22(21)25(28-27-24)26-19-8-10-20(30)11-9-19/h2-11,16,30H,12-15H2,1H3,(H,26,28)
InChIKeyFBFISYMGQUXGNW-UHFFFAOYSA-N
MW476.56 g/mol
LogP4.08
Rot. Bonds5

About 4-[[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-yl]amino]phenol

4-[[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-yl]amino]phenol (PubChem CID 1394896) has the molecular formula C25H24N4O4S and a molecular weight of 476.56 g/mol. Its IUPAC name is 4-[[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-yl]amino]phenol.

Molecular Properties

Compound Name4-[[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-yl]amino]phenol
PubChem CID1394896
Molecular FormulaC25H24N4O4S
Molecular Weight476.56 g/mol
Exact Mass476.15
IUPAC Name4-[[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-yl]amino]phenol
SMILESCc1ccc(-c2nnc(Nc3ccc(O)cc3)c3ccccc23)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C25H24N4O4S/c1-17-6-7-18(16-23(17)34(31,32)29-12-14-33-15-13-29)24-21-4-2-3-5-22(21)25(28-27-24)26-19-8-10-20(30)11-9-19/h2-11,16,30H,12-15H2,1H3,(H,26,28)
InChIKeyFBFISYMGQUXGNW-UHFFFAOYSA-N
XLogP4.08
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-{4-[(4-{4-Methyl-3-[(tetrahydrofuran-2-ylmethyl)sulfamoyl]phenyl}phthalazin-1-yl)amino]phenoxy}acetamide
CID 3921619
N-(1-hydroxy-2-methylpropan-2-yl)-5-(4-((4-hydroxyphenyl)amino)phthalazin-1-yl)-2-methylbenzenesulfonamide
CID 1390966
ethyl N-[(5-{4-[(3-hydroxyphenyl)amino]phthalazin-1-yl}-2-methylphenyl)sulfonyl]glycinate
CID 2905413
5-[4-({4-[chloro(difluoro)methoxy]phenyl}amino)phthalazin-1-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbenzenesulfonamide
CID 5292453
3-({4-[4-Methyl-3-(morpholin-4-ylsulfonyl)phenyl]phthalazin-1-yl}amino)phenol
CID 1388090
2-[4-({4-[3-(tert-butylsulfamoyl)-4-methylphenyl]phthalazin-1-yl}amino)phenoxy]-N-methylacetamide
CID 1393710
4-[4-methyl-3-(morpholin-4-ylsulfonyl)phenyl]-N-(2-methylphenyl)phthalazin-1-amine
CID 1420577
3-[(4-{4-Methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazin-1-yl)amino]phenol
CID 2927575
5-{4-[(4-hydroxyphenyl)amino]phthalazin-1-yl}-2-methyl-N-(tetrahydrofuran-2-ylmethyl)benzenesulfonamide
CID 3429039
4-({4-[4-Methyl-3-(morpholin-4-ylsulfonyl)phenyl]phthalazin-1-yl}amino)benzenesulfonamide
CID 4371078
N-(4-methoxyphenyl)-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-amine
CID 4439966
N-methyl-2-{4-[(4-{4-methyl-3-[(tetrahydrofuran-2-ylmethyl)sulfamoyl]phenyl}phthalazin-1-yl)amino]phenoxy}acetamide
CID 4542699

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-yl]amino]phenol?
The IUPAC name of 4-[[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-yl]amino]phenol (CID 1394896) is 4-[[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-yl]amino]phenol.
What is the SMILES notation for 4-[[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-yl]amino]phenol?
The canonical SMILES for 4-[[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-yl]amino]phenol is Cc1ccc(-c2nnc(Nc3ccc(O)cc3)c3ccccc23)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-[[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-yl]amino]phenol?
The InChIKey is FBFISYMGQUXGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4S/c1-17-6-7-18(16-23(17)34(31,32)29-12-14-33-15-13-29)24-21-4-2-3-5-22(21)25(28-27-24)26-19-8-10-20(30)11-9-19/h2-11,16,30H,12-15H2,1H3,(H,26,28).
What are the key properties of 4-[[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-yl]amino]phenol?
4-[[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-yl]amino]phenol has a molecular weight of 476.56 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-yl]amino]phenol is sourced from PubChem (CID 1394896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).