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

C25H24N4O4S — CID 1309133

IUPACN-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]benzenesulfonamide
SMILESCn1nc(-c2ccc(N3CCOCC3)c(NS(=O)(=O)c3ccccc3)c2)c2ccccc2c1=O
InChIInChI=1S/C25H24N4O4S/c1-28-25(30)21-10-6-5-9-20(21)24(26-28)18-11-12-23(29-13-15-33-16-14-29)22(17-18)27-34(31,32)19-7-3-2-4-8-19/h2-12,17,27H,13-16H2,1H3
InChIKeyXWJFHSJBBKTFAC-UHFFFAOYSA-N
MW476.56 g/mol
LogP3.24
Rot. Bonds5

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

N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]benzenesulfonamide (PubChem CID 1309133) has the molecular formula C25H24N4O4S and a molecular weight of 476.56 g/mol. Its IUPAC name is N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]benzenesulfonamide
PubChem CID1309133
Molecular FormulaC25H24N4O4S
Molecular Weight476.56 g/mol
Exact Mass476.15
IUPAC NameN-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]benzenesulfonamide
SMILESCn1nc(-c2ccc(N3CCOCC3)c(NS(=O)(=O)c3ccccc3)c2)c2ccccc2c1=O
InChIInChI=1S/C25H24N4O4S/c1-28-25(30)21-10-6-5-9-20(21)24(26-28)18-11-12-23(29-13-15-33-16-14-29)22(17-18)27-34(31,32)19-7-3-2-4-8-19/h2-12,17,27H,13-16H2,1H3
InChIKeyXWJFHSJBBKTFAC-UHFFFAOYSA-N
XLogP3.24
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]benzenesulfonamide?
The IUPAC name of N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]benzenesulfonamide (CID 1309133) is N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]benzenesulfonamide.
What is the SMILES notation for N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]benzenesulfonamide?
The canonical SMILES for N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]benzenesulfonamide is Cn1nc(-c2ccc(N3CCOCC3)c(NS(=O)(=O)c3ccccc3)c2)c2ccccc2c1=O.
What is the InChIKey of N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]benzenesulfonamide?
The InChIKey is XWJFHSJBBKTFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4S/c1-28-25(30)21-10-6-5-9-20(21)24(26-28)18-11-12-23(29-13-15-33-16-14-29)22(17-18)27-34(31,32)19-7-3-2-4-8-19/h2-12,17,27H,13-16H2,1H3.
What are the key properties of N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]benzenesulfonamide?
N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]benzenesulfonamide has a molecular weight of 476.56 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]benzenesulfonamide is sourced from PubChem (CID 1309133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).