4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide

C17H15N5O3S — CID 2047876

IUPAC4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)cc1-c1nnc2c3ccccc3c(C)nn12
InChIInChI=1S/C17H15N5O3S/c1-10-12-5-3-4-6-13(12)16-19-20-17(22(16)21-10)14-9-11(26(18,23)24)7-8-15(14)25-2/h3-9H,1-2H3,(H2,18,23,24)
InChIKeyREAMNSLVMIPBBE-UHFFFAOYSA-N
MW369.41 g/mol
LogP1.91
Rot. Bonds3

About 4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide

4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide (PubChem CID 2047876) has the molecular formula C17H15N5O3S and a molecular weight of 369.41 g/mol. Its IUPAC name is 4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide
PubChem CID2047876
Molecular FormulaC17H15N5O3S
Molecular Weight369.41 g/mol
Exact Mass369.09
IUPAC Name4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)cc1-c1nnc2c3ccccc3c(C)nn12
InChIInChI=1S/C17H15N5O3S/c1-10-12-5-3-4-6-13(12)16-19-20-17(22(16)21-10)14-9-11(26(18,23)24)7-8-15(14)25-2/h3-9H,1-2H3,(H2,18,23,24)
InChIKeyREAMNSLVMIPBBE-UHFFFAOYSA-N
XLogP1.91
TPSA112.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-((2-Methoxy-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl)sulfonyl)piperazin-1-yl)ethanol
CID 662762
3-(4-Methoxyphenyl)-6-methyl[1,2,4]triazolo[3,4-a]phthalazine
CID 938212
3,6-Bis(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine
CID 1968501
2-[4-[4-Methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]sulfonylpiperazin-1-yl]ethanol
CID 2043852
2-Methoxy-5-(6-methyl-1,2,4-triazolo[3,4-a]phthalazin-3-yl)-N-propylbenzenesulfonamide
CID 3156591
N-(tert-butyl)-4-methoxy-3-(6-methyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide
CID 1295462
4-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)phenyl]benzenesulfonamide
CID 76328466
5-(2-Ethoxy-5-piperidin-1-ylsulfonylphenyl)-1,3-dimethylpyrazolo[4,5-e][1,2,4]triazine
CID 90675936
3-(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)-4-ethoxy-N,N-diethylbenzenesulfonamide
CID 118722001
3-(1,3-Dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)-4-ethoxybenzenesulfonamide
CID 118728503
4-Ethoxy-3-[3-methyl-1-(4-methylphenyl)pyrazolo[4,5-e][1,2,4]triazin-5-yl]benzenesulfonamide
CID 122179846
N-(1-hydroxy-2-methylpropan-2-yl)-4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide
CID 2042898

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide (CID 2047876) is 4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide is COc1ccc(S(N)(=O)=O)cc1-c1nnc2c3ccccc3c(C)nn12.
What is the InChIKey of 4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide?
The InChIKey is REAMNSLVMIPBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3S/c1-10-12-5-3-4-6-13(12)16-19-20-17(22(16)21-10)14-9-11(26(18,23)24)7-8-15(14)25-2/h3-9H,1-2H3,(H2,18,23,24).
What are the key properties of 4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide?
4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide has a molecular weight of 369.41 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 2047876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).