4-methyl-N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]benzenesulfonamide

C26H26N4O4S — CID 1301881

IUPAC4-methyl-N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(-c3nn(C)c(=O)c4ccccc34)ccc2N2CCOCC2)cc1
InChIInChI=1S/C26H26N4O4S/c1-18-7-10-20(11-8-18)35(32,33)28-23-17-19(9-12-24(23)30-13-15-34-16-14-30)25-21-5-3-4-6-22(21)26(31)29(2)27-25/h3-12,17,28H,13-16H2,1-2H3
InChIKeyRPTXLPNBHVSGOL-UHFFFAOYSA-N
MW490.59 g/mol
LogP3.55
Rot. Bonds5

About 4-methyl-N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]benzenesulfonamide

4-methyl-N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]benzenesulfonamide (PubChem CID 1301881) has the molecular formula C26H26N4O4S and a molecular weight of 490.59 g/mol. Its IUPAC name is 4-methyl-N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]benzenesulfonamide
PubChem CID1301881
Molecular FormulaC26H26N4O4S
Molecular Weight490.59 g/mol
Exact Mass490.17
IUPAC Name4-methyl-N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(-c3nn(C)c(=O)c4ccccc34)ccc2N2CCOCC2)cc1
InChIInChI=1S/C26H26N4O4S/c1-18-7-10-20(11-8-18)35(32,33)28-23-17-19(9-12-24(23)30-13-15-34-16-14-30)25-21-5-3-4-6-22(21)26(31)29(2)27-25/h3-12,17,28H,13-16H2,1-2H3
InChIKeyRPTXLPNBHVSGOL-UHFFFAOYSA-N
XLogP3.55
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]benzenesulfonamide (CID 1301881) is 4-methyl-N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(-c3nn(C)c(=O)c4ccccc34)ccc2N2CCOCC2)cc1.
What is the InChIKey of 4-methyl-N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]benzenesulfonamide?
The InChIKey is RPTXLPNBHVSGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4S/c1-18-7-10-20(11-8-18)35(32,33)28-23-17-19(9-12-24(23)30-13-15-34-16-14-30)25-21-5-3-4-6-22(21)26(31)29(2)27-25/h3-12,17,28H,13-16H2,1-2H3.
What are the key properties of 4-methyl-N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]benzenesulfonamide?
4-methyl-N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]benzenesulfonamide has a molecular weight of 490.59 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]benzenesulfonamide is sourced from PubChem (CID 1301881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).