N,N,2-trimethyl-5-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazin-1-yl]benzenesulfonamide

C23H26N4O5S — CID 1343048

IUPACN,N,2-trimethyl-5-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazin-1-yl]benzenesulfonamide
SMILESCc1ccc(-c2nn(CC(=O)N3CCOCC3)c(=O)c3ccccc23)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C23H26N4O5S/c1-16-8-9-17(14-20(16)33(30,31)25(2)3)22-18-6-4-5-7-19(18)23(29)27(24-22)15-21(28)26-10-12-32-13-11-26/h4-9,14H,10-13,15H2,1-3H3
InChIKeyZPHHVCVAVIAXAB-UHFFFAOYSA-N
MW470.55 g/mol
LogP1.48
Rot. Bonds5

About N,N,2-trimethyl-5-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazin-1-yl]benzenesulfonamide

N,N,2-trimethyl-5-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazin-1-yl]benzenesulfonamide (PubChem CID 1343048) has the molecular formula C23H26N4O5S and a molecular weight of 470.55 g/mol. Its IUPAC name is N,N,2-trimethyl-5-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN,N,2-trimethyl-5-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazin-1-yl]benzenesulfonamide
PubChem CID1343048
Molecular FormulaC23H26N4O5S
Molecular Weight470.55 g/mol
Exact Mass470.16
IUPAC NameN,N,2-trimethyl-5-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazin-1-yl]benzenesulfonamide
SMILESCc1ccc(-c2nn(CC(=O)N3CCOCC3)c(=O)c3ccccc23)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C23H26N4O5S/c1-16-8-9-17(14-20(16)33(30,31)25(2)3)22-18-6-4-5-7-19(18)23(29)27(24-22)15-21(28)26-10-12-32-13-11-26/h4-9,14H,10-13,15H2,1-3H3
InChIKeyZPHHVCVAVIAXAB-UHFFFAOYSA-N
XLogP1.48
TPSA101.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-5-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazin-1-yl]benzenesulfonamide?
The IUPAC name of N,N,2-trimethyl-5-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazin-1-yl]benzenesulfonamide (CID 1343048) is N,N,2-trimethyl-5-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazin-1-yl]benzenesulfonamide.
What is the SMILES notation for N,N,2-trimethyl-5-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazin-1-yl]benzenesulfonamide?
The canonical SMILES for N,N,2-trimethyl-5-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazin-1-yl]benzenesulfonamide is Cc1ccc(-c2nn(CC(=O)N3CCOCC3)c(=O)c3ccccc23)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N,N,2-trimethyl-5-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazin-1-yl]benzenesulfonamide?
The InChIKey is ZPHHVCVAVIAXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5S/c1-16-8-9-17(14-20(16)33(30,31)25(2)3)22-18-6-4-5-7-19(18)23(29)27(24-22)15-21(28)26-10-12-32-13-11-26/h4-9,14H,10-13,15H2,1-3H3.
What are the key properties of N,N,2-trimethyl-5-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazin-1-yl]benzenesulfonamide?
N,N,2-trimethyl-5-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazin-1-yl]benzenesulfonamide has a molecular weight of 470.55 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-5-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 1343048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).