N-[5-[4-(4-hydroxyanilino)phthalazin-1-yl]-2-morpholin-4-ylphenyl]methanesulfonamide

C25H25N5O4S — CID 135416658

IUPACN-[5-[4-(4-hydroxyanilino)phthalazin-1-yl]-2-morpholin-4-ylphenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(-c2nnc(Nc3ccc(O)cc3)c3ccccc23)ccc1N1CCOCC1
InChIInChI=1S/C25H25N5O4S/c1-35(32,33)29-22-16-17(6-11-23(22)30-12-14-34-15-13-30)24-20-4-2-3-5-21(20)25(28-27-24)26-18-7-9-19(31)10-8-18/h2-11,16,29,31H,12-15H2,1H3,(H,26,28)
InChIKeyURIMVQMDERUYRP-UHFFFAOYSA-N
MW491.57 g/mol
LogP3.95
Rot. Bonds6

About N-[5-[4-(4-hydroxyanilino)phthalazin-1-yl]-2-morpholin-4-ylphenyl]methanesulfonamide

N-[5-[4-(4-hydroxyanilino)phthalazin-1-yl]-2-morpholin-4-ylphenyl]methanesulfonamide (PubChem CID 135416658) has the molecular formula C25H25N5O4S and a molecular weight of 491.57 g/mol. Its IUPAC name is N-[5-[4-(4-hydroxyanilino)phthalazin-1-yl]-2-morpholin-4-ylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[4-(4-hydroxyanilino)phthalazin-1-yl]-2-morpholin-4-ylphenyl]methanesulfonamide
PubChem CID135416658
Molecular FormulaC25H25N5O4S
Molecular Weight491.57 g/mol
Exact Mass491.16
IUPAC NameN-[5-[4-(4-hydroxyanilino)phthalazin-1-yl]-2-morpholin-4-ylphenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(-c2nnc(Nc3ccc(O)cc3)c3ccccc23)ccc1N1CCOCC1
InChIInChI=1S/C25H25N5O4S/c1-35(32,33)29-22-16-17(6-11-23(22)30-12-14-34-15-13-30)24-20-4-2-3-5-21(20)25(28-27-24)26-18-7-9-19(31)10-8-18/h2-11,16,29,31H,12-15H2,1H3,(H,26,28)
InChIKeyURIMVQMDERUYRP-UHFFFAOYSA-N
XLogP3.95
TPSA116.68 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-((4-(4-Methyl-3-(morpholinosulfonyl)phenyl)phthalazin-1-yl)amino)phenol
CID 1394896
3-({4-[4-Methyl-3-(morpholin-4-ylsulfonyl)phenyl]phthalazin-1-yl}amino)phenol
CID 1388090
4-((4-(4-Methyl-3-(piperidin-1-ylsulfonyl)phenyl)phthalazin-1-yl)amino)phenol
CID 2904439
N-(4-methoxyphenyl)-4-(4-morpholin-4-yl-3-nitrophenyl)phthalazin-1-amine
CID 2937137
4-({4-[4-(Morpholin-4-yl)-3-nitrophenyl]phthalazin-1-yl}amino)phenol
CID 3784518
4-[(4-{4-Methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazin-1-yl)amino]phenol
CID 135419133
N-{2-(morpholin-4-yl)-5-[4-(phenylamino)phthalazin-1-yl]phenyl}methanesulfonamide
CID 6413286
3-[(S)-amino-[(4-methyl-7-morpholin-4-ylphthalazin-1-yl)amino]methyl]-5-(trifluoromethyl)phenol
CID 156526963
4-(4-(4-Methylpiperazin-1-yl)phthalazin-1-ylamino)phenol
CID 135964711
4-Aminophenol;4-[[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]amino]phenol
CID 160520447
3-methyl-5-[(1R)-1-[(4-methyl-7-morpholin-4-ylphthalazin-1-yl)amino]ethyl]phenol
CID 170011907
N-(4-hydroxyphenyl)-2-methyl-5-(4-morpholin-4-ylphthalazin-1-yl)benzenesulfonamide
CID 25047788

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(4-hydroxyanilino)phthalazin-1-yl]-2-morpholin-4-ylphenyl]methanesulfonamide?
The IUPAC name of N-[5-[4-(4-hydroxyanilino)phthalazin-1-yl]-2-morpholin-4-ylphenyl]methanesulfonamide (CID 135416658) is N-[5-[4-(4-hydroxyanilino)phthalazin-1-yl]-2-morpholin-4-ylphenyl]methanesulfonamide.
What is the SMILES notation for N-[5-[4-(4-hydroxyanilino)phthalazin-1-yl]-2-morpholin-4-ylphenyl]methanesulfonamide?
The canonical SMILES for N-[5-[4-(4-hydroxyanilino)phthalazin-1-yl]-2-morpholin-4-ylphenyl]methanesulfonamide is CS(=O)(=O)Nc1cc(-c2nnc(Nc3ccc(O)cc3)c3ccccc23)ccc1N1CCOCC1.
What is the InChIKey of N-[5-[4-(4-hydroxyanilino)phthalazin-1-yl]-2-morpholin-4-ylphenyl]methanesulfonamide?
The InChIKey is URIMVQMDERUYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4S/c1-35(32,33)29-22-16-17(6-11-23(22)30-12-14-34-15-13-30)24-20-4-2-3-5-21(20)25(28-27-24)26-18-7-9-19(31)10-8-18/h2-11,16,29,31H,12-15H2,1H3,(H,26,28).
What are the key properties of N-[5-[4-(4-hydroxyanilino)phthalazin-1-yl]-2-morpholin-4-ylphenyl]methanesulfonamide?
N-[5-[4-(4-hydroxyanilino)phthalazin-1-yl]-2-morpholin-4-ylphenyl]methanesulfonamide has a molecular weight of 491.57 g/mol, XLogP of 3.95, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(4-hydroxyanilino)phthalazin-1-yl]-2-morpholin-4-ylphenyl]methanesulfonamide is sourced from PubChem (CID 135416658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).