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

C25H24N4O4S — CID 1388090

IUPAC3-[[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-yl]amino]phenol
SMILESCc1ccc(-c2nnc(Nc3cccc(O)c3)c3ccccc23)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C25H24N4O4S/c1-17-9-10-18(15-23(17)34(31,32)29-11-13-33-14-12-29)24-21-7-2-3-8-22(21)25(28-27-24)26-19-5-4-6-20(30)16-19/h2-10,15-16,30H,11-14H2,1H3,(H,26,28)
InChIKeyYOXALMGIRXSESP-UHFFFAOYSA-N
MW476.56 g/mol
LogP4.08
Rot. Bonds5

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

3-[[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-yl]amino]phenol (PubChem CID 1388090) has the molecular formula C25H24N4O4S and a molecular weight of 476.56 g/mol. Its IUPAC name is 3-[[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-yl]amino]phenol.

Molecular Properties

Compound Name3-[[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-yl]amino]phenol
PubChem CID1388090
Molecular FormulaC25H24N4O4S
Molecular Weight476.56 g/mol
Exact Mass476.15
IUPAC Name3-[[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-yl]amino]phenol
SMILESCc1ccc(-c2nnc(Nc3cccc(O)c3)c3ccccc23)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C25H24N4O4S/c1-17-9-10-18(15-23(17)34(31,32)29-11-13-33-14-12-29)24-21-7-2-3-8-22(21)25(28-27-24)26-19-5-4-6-20(30)16-19/h2-10,15-16,30H,11-14H2,1H3,(H,26,28)
InChIKeyYOXALMGIRXSESP-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

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

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Related Compounds

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
4-((4-(4-Methyl-3-(morpholinosulfonyl)phenyl)phthalazin-1-yl)amino)phenol
CID 1394896
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
N-(4-methoxyphenyl)-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-amine
CID 4439966
N-(4-methoxyphenyl)-4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazin-1-amine
CID 6415808
N-tert-butyl-5-{4-[(3-hydroxyphenyl)amino]phthalazin-1-yl}-2-methylbenzenesulfonamide
CID 1391651
N-(1-hydroxy-2-methylpropan-2-yl)-5-{4-[(3-hydroxyphenyl)amino]phthalazin-1-yl}-2-methylbenzenesulfonamide
CID 1414431
4-[4-methyl-3-(morpholin-4-ylsulfonyl)phenyl]-N-phenylphthalazin-1-amine
CID 1385475
4-((4-(4-Hydroxyphenyl)phthalazin-1-yl)amino)benzenesulfonamide
CID 1076562
3-({4-[4-Methyl-3-(piperidin-1-ylsulfonyl)phenyl]phthalazin-1-yl}amino)phenol
CID 1419934

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-yl]amino]phenol?
The IUPAC name of 3-[[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-yl]amino]phenol (CID 1388090) is 3-[[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-yl]amino]phenol.
What is the SMILES notation for 3-[[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-yl]amino]phenol?
The canonical SMILES for 3-[[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-yl]amino]phenol is Cc1ccc(-c2nnc(Nc3cccc(O)c3)c3ccccc23)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 3-[[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-yl]amino]phenol?
The InChIKey is YOXALMGIRXSESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4S/c1-17-9-10-18(15-23(17)34(31,32)29-11-13-33-14-12-29)24-21-7-2-3-8-22(21)25(28-27-24)26-19-5-4-6-20(30)16-19/h2-10,15-16,30H,11-14H2,1H3,(H,26,28).
What are the key properties of 3-[[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-yl]amino]phenol?
3-[[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 3-[[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-yl]amino]phenol is sourced from PubChem (CID 1388090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).