4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-N-phenylphthalazin-1-amine

C25H24N4O3S — CID 1385475

IUPAC4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-N-phenylphthalazin-1-amine
SMILESCc1ccc(-c2nnc(Nc3ccccc3)c3ccccc23)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C25H24N4O3S/c1-18-11-12-19(17-23(18)33(30,31)29-13-15-32-16-14-29)24-21-9-5-6-10-22(21)25(28-27-24)26-20-7-3-2-4-8-20/h2-12,17H,13-16H2,1H3,(H,26,28)
InChIKeyPUQZRTAKHVBNGU-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.37
Rot. Bonds5

About 4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-N-phenylphthalazin-1-amine

4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-N-phenylphthalazin-1-amine (PubChem CID 1385475) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is 4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-N-phenylphthalazin-1-amine.

Molecular Properties

Compound Name4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-N-phenylphthalazin-1-amine
PubChem CID1385475
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC Name4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-N-phenylphthalazin-1-amine
SMILESCc1ccc(-c2nnc(Nc3ccccc3)c3ccccc23)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C25H24N4O3S/c1-18-11-12-19(17-23(18)33(30,31)29-13-15-32-16-14-29)24-21-9-5-6-10-22(21)25(28-27-24)26-20-7-3-2-4-8-20/h2-12,17H,13-16H2,1H3,(H,26,28)
InChIKeyPUQZRTAKHVBNGU-UHFFFAOYSA-N
XLogP4.37
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-N-phenylphthalazin-1-amine?
The IUPAC name of 4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-N-phenylphthalazin-1-amine (CID 1385475) is 4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-N-phenylphthalazin-1-amine.
What is the SMILES notation for 4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-N-phenylphthalazin-1-amine?
The canonical SMILES for 4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-N-phenylphthalazin-1-amine is Cc1ccc(-c2nnc(Nc3ccccc3)c3ccccc23)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-N-phenylphthalazin-1-amine?
The InChIKey is PUQZRTAKHVBNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S/c1-18-11-12-19(17-23(18)33(30,31)29-13-15-32-16-14-29)24-21-9-5-6-10-22(21)25(28-27-24)26-20-7-3-2-4-8-20/h2-12,17H,13-16H2,1H3,(H,26,28).
What are the key properties of 4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-N-phenylphthalazin-1-amine?
4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-N-phenylphthalazin-1-amine has a molecular weight of 460.56 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-N-phenylphthalazin-1-amine is sourced from PubChem (CID 1385475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).