N,N-dimethyl-4-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]benzamide

C24H23N5O3S — CID 2893970

IUPACN,N-dimethyl-4-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]benzamide
SMILESCc1ccc(-c2nnc(Nc3ccc(C(=O)N(C)C)cc3)c3ccccc23)cc1S(N)(=O)=O
InChIInChI=1S/C24H23N5O3S/c1-15-8-9-17(14-21(15)33(25,31)32)22-19-6-4-5-7-20(19)23(28-27-22)26-18-12-10-16(11-13-18)24(30)29(2)3/h4-14H,1-3H3,(H,26,28)(H2,25,31,32)
InChIKeyDXBIQKKUGHDOLK-UHFFFAOYSA-N
MW461.55 g/mol
LogP3.70
Rot. Bonds5

About N,N-dimethyl-4-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]benzamide

N,N-dimethyl-4-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]benzamide (PubChem CID 2893970) has the molecular formula C24H23N5O3S and a molecular weight of 461.55 g/mol. Its IUPAC name is N,N-dimethyl-4-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]benzamide
PubChem CID2893970
Molecular FormulaC24H23N5O3S
Molecular Weight461.55 g/mol
Exact Mass461.15
IUPAC NameN,N-dimethyl-4-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]benzamide
SMILESCc1ccc(-c2nnc(Nc3ccc(C(=O)N(C)C)cc3)c3ccccc23)cc1S(N)(=O)=O
InChIInChI=1S/C24H23N5O3S/c1-15-8-9-17(14-21(15)33(25,31)32)22-19-6-4-5-7-20(19)23(28-27-22)26-18-12-10-16(11-13-18)24(30)29(2)3/h4-14H,1-3H3,(H,26,28)(H2,25,31,32)
InChIKeyDXBIQKKUGHDOLK-UHFFFAOYSA-N
XLogP3.70
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]benzamide?
The IUPAC name of N,N-dimethyl-4-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]benzamide (CID 2893970) is N,N-dimethyl-4-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-4-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]benzamide is Cc1ccc(-c2nnc(Nc3ccc(C(=O)N(C)C)cc3)c3ccccc23)cc1S(N)(=O)=O.
What is the InChIKey of N,N-dimethyl-4-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]benzamide?
The InChIKey is DXBIQKKUGHDOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S/c1-15-8-9-17(14-21(15)33(25,31)32)22-19-6-4-5-7-20(19)23(28-27-22)26-18-12-10-16(11-13-18)24(30)29(2)3/h4-14H,1-3H3,(H,26,28)(H2,25,31,32).
What are the key properties of N,N-dimethyl-4-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]benzamide?
N,N-dimethyl-4-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]benzamide has a molecular weight of 461.55 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]benzamide is sourced from PubChem (CID 2893970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).