4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-N-(2-methylphenyl)phthalazin-1-amine

C26H26N4O3S — CID 1420577

IUPAC4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-N-(2-methylphenyl)phthalazin-1-amine
SMILESCc1ccccc1Nc1nnc(-c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c2ccccc12
InChIInChI=1S/C26H26N4O3S/c1-18-7-3-6-10-23(18)27-26-22-9-5-4-8-21(22)25(28-29-26)20-12-11-19(2)24(17-20)34(31,32)30-13-15-33-16-14-30/h3-12,17H,13-16H2,1-2H3,(H,27,29)
InChIKeyCUULIGRCDOPMPJ-UHFFFAOYSA-N
MW474.59 g/mol
LogP4.68
Rot. Bonds5

About 4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-N-(2-methylphenyl)phthalazin-1-amine

4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-N-(2-methylphenyl)phthalazin-1-amine (PubChem CID 1420577) has the molecular formula C26H26N4O3S and a molecular weight of 474.59 g/mol. Its IUPAC name is 4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-N-(2-methylphenyl)phthalazin-1-amine.

Molecular Properties

Compound Name4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-N-(2-methylphenyl)phthalazin-1-amine
PubChem CID1420577
Molecular FormulaC26H26N4O3S
Molecular Weight474.59 g/mol
Exact Mass474.17
IUPAC Name4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-N-(2-methylphenyl)phthalazin-1-amine
SMILESCc1ccccc1Nc1nnc(-c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c2ccccc12
InChIInChI=1S/C26H26N4O3S/c1-18-7-3-6-10-23(18)27-26-22-9-5-4-8-21(22)25(28-29-26)20-12-11-19(2)24(17-20)34(31,32)30-13-15-33-16-14-30/h3-12,17H,13-16H2,1-2H3,(H,27,29)
InChIKeyCUULIGRCDOPMPJ-UHFFFAOYSA-N
XLogP4.68
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Methyl-5-(4-((4-sulfamoylphenyl)amino)phthalazin-1-yl)benzenesulfonamide
CID 2893744
5-{4-[(2,5-dimethylphenyl)amino]phthalazin-1-yl}-N,2-dimethylbenzenesulfonamide
CID 1417225
2-{4-[4-(4-Methyl-3-sulfamoyl-phenyl)-phthalazin-1-ylamino]-phenyl}-acetamide
CID 1564225
2-{4-[(4-{4-Methyl-3-[(tetrahydrofuran-2-ylmethyl)sulfamoyl]phenyl}phthalazin-1-yl)amino]phenyl}acetamide
CID 5159882
4-((4-(4-Methyl-3-(morpholinosulfonyl)phenyl)phthalazin-1-yl)amino)phenol
CID 1394896
3-[4-(4-Aminoanilino)phthalazin-1-yl]benzenesulfonamide
CID 71607953
3-[4-(4-Tert-butylanilino)phthalazin-1-yl]benzenesulfonamide
CID 71607954
N-(2,4-dimethylphenyl)-4-[4-methyl-3-(morpholin-4-ylsulfonyl)phenyl]phthalazin-1-amine
CID 1386187
4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-N-(3-methylphenyl)phthalazin-1-amine
CID 1389762
N-(4-chlorophenyl)-4-[4-methyl-3-(morpholin-4-ylsulfonyl)phenyl]phthalazin-1-amine
CID 1390130
N-(3-chlorophenyl)-4-[4-methyl-3-(morpholin-4-ylsulfonyl)phenyl]phthalazin-1-amine
CID 1391135
4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-N-(4-methylphenyl)phthalazin-1-amine
CID 1391249

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-N-(2-methylphenyl)phthalazin-1-amine?
The IUPAC name of 4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-N-(2-methylphenyl)phthalazin-1-amine (CID 1420577) is 4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-N-(2-methylphenyl)phthalazin-1-amine.
What is the SMILES notation for 4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-N-(2-methylphenyl)phthalazin-1-amine?
The canonical SMILES for 4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-N-(2-methylphenyl)phthalazin-1-amine is Cc1ccccc1Nc1nnc(-c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c2ccccc12.
What is the InChIKey of 4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-N-(2-methylphenyl)phthalazin-1-amine?
The InChIKey is CUULIGRCDOPMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3S/c1-18-7-3-6-10-23(18)27-26-22-9-5-4-8-21(22)25(28-29-26)20-12-11-19(2)24(17-20)34(31,32)30-13-15-33-16-14-30/h3-12,17H,13-16H2,1-2H3,(H,27,29).
What are the key properties of 4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-N-(2-methylphenyl)phthalazin-1-amine?
4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-N-(2-methylphenyl)phthalazin-1-amine has a molecular weight of 474.59 g/mol, XLogP of 4.68, 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-(2-methylphenyl)phthalazin-1-amine is sourced from PubChem (CID 1420577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).