N-(3-chlorophenyl)-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-amine

C25H23ClN4O3S — CID 1391135

IUPACN-(3-chlorophenyl)-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-amine
SMILESCc1ccc(-c2nnc(Nc3cccc(Cl)c3)c3ccccc23)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C25H23ClN4O3S/c1-17-9-10-18(15-23(17)34(31,32)30-11-13-33-14-12-30)24-21-7-2-3-8-22(21)25(29-28-24)27-20-6-4-5-19(26)16-20/h2-10,15-16H,11-14H2,1H3,(H,27,29)
InChIKeyJQQCPGZCUOFUEI-UHFFFAOYSA-N
MW495.00 g/mol
LogP5.02
Rot. Bonds5

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

N-(3-chlorophenyl)-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-amine (PubChem CID 1391135) has the molecular formula C25H23ClN4O3S and a molecular weight of 495.00 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-amine
PubChem CID1391135
Molecular FormulaC25H23ClN4O3S
Molecular Weight495.00 g/mol
Exact Mass494.12
IUPAC NameN-(3-chlorophenyl)-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-amine
SMILESCc1ccc(-c2nnc(Nc3cccc(Cl)c3)c3ccccc23)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C25H23ClN4O3S/c1-17-9-10-18(15-23(17)34(31,32)30-11-13-33-14-12-30)24-21-7-2-3-8-22(21)25(29-28-24)27-20-6-4-5-19(26)16-20/h2-10,15-16H,11-14H2,1H3,(H,27,29)
InChIKeyJQQCPGZCUOFUEI-UHFFFAOYSA-N
XLogP5.02
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.00
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-chlorophenyl)-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-amine?
The IUPAC name of N-(3-chlorophenyl)-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-amine (CID 1391135) is N-(3-chlorophenyl)-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-amine.
What is the SMILES notation for N-(3-chlorophenyl)-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-amine?
The canonical SMILES for N-(3-chlorophenyl)-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-amine is Cc1ccc(-c2nnc(Nc3cccc(Cl)c3)c3ccccc23)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(3-chlorophenyl)-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-amine?
The InChIKey is JQQCPGZCUOFUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O3S/c1-17-9-10-18(15-23(17)34(31,32)30-11-13-33-14-12-30)24-21-7-2-3-8-22(21)25(29-28-24)27-20-6-4-5-19(26)16-20/h2-10,15-16H,11-14H2,1H3,(H,27,29).
What are the key properties of N-(3-chlorophenyl)-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-amine?
N-(3-chlorophenyl)-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-amine has a molecular weight of 495.00 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-amine is sourced from PubChem (CID 1391135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).