N-ethyl-5-(4-methoxyphthalazin-1-yl)-2-methylbenzenesulfonamide

C18H19N3O3S — CID 3149669

IUPACN-ethyl-5-(4-methoxyphthalazin-1-yl)-2-methylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1cc(-c2nnc(OC)c3ccccc23)ccc1C
InChIInChI=1S/C18H19N3O3S/c1-4-19-25(22,23)16-11-13(10-9-12(16)2)17-14-7-5-6-8-15(14)18(24-3)21-20-17/h5-11,19H,4H2,1-3H3
InChIKeyBQWLRNJHCQMOID-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.91
Rot. Bonds5

About N-ethyl-5-(4-methoxyphthalazin-1-yl)-2-methylbenzenesulfonamide

N-ethyl-5-(4-methoxyphthalazin-1-yl)-2-methylbenzenesulfonamide (PubChem CID 3149669) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-ethyl-5-(4-methoxyphthalazin-1-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-5-(4-methoxyphthalazin-1-yl)-2-methylbenzenesulfonamide
PubChem CID3149669
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-ethyl-5-(4-methoxyphthalazin-1-yl)-2-methylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1cc(-c2nnc(OC)c3ccccc23)ccc1C
InChIInChI=1S/C18H19N3O3S/c1-4-19-25(22,23)16-11-13(10-9-12(16)2)17-14-7-5-6-8-15(14)18(24-3)21-20-17/h5-11,19H,4H2,1-3H3
InChIKeyBQWLRNJHCQMOID-UHFFFAOYSA-N
XLogP2.91
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methoxyphthalazin-1-yl)-N,2-dimethylbenzenesulfonamide
CID 3149668
N-cyclohexyl-5-(4-methoxyphthalazin-1-yl)-2-methylbenzenesulfonamide
CID 2928176
ethyl 2-[(2-methyl-5-phthalazin-1-ylphenyl)sulfonylamino]acetate
CID 6411896
5-[[4-[3-(butylsulfamoyl)-4-methylphenyl]phthalazin-1-yl]amino]-2-methoxy-N-methylbenzamide
CID 6407167
methyl 4-(4-methoxyphthalazin-1-yl)benzoate
CID 23993030
N-benzyl-2-methyl-5-[4-[4-(trifluoromethoxy)anilino]phthalazin-1-yl]benzenesulfonamide
CID 5292284
2-methoxy-5-[[4-[4-methyl-3-(pyridin-2-ylmethylsulfamoyl)phenyl]phthalazin-1-yl]amino]benzamide
CID 6413686
N,2-dimethyl-5-(3-propyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)benzenesulfonamide
CID 4910939
5-[4-(3-chloroanilino)phthalazin-1-yl]-N,2-dimethylbenzenesulfonamide
CID 1390975
N-[2-(3,4-diethoxyphenyl)ethyl]-5-[4-(3-hydroxyanilino)phthalazin-1-yl]-2-methylbenzenesulfonamide
CID 5292464
2-methyl-5-[4-(naphthalen-1-ylamino)phthalazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1388150
N-(1H-benzimidazol-2-ylmethyl)-2-methyl-5-[4-(4-methylanilino)phthalazin-1-yl]benzenesulfonamide;hydrochloride
CID 163329207

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(4-methoxyphthalazin-1-yl)-2-methylbenzenesulfonamide?
The IUPAC name of N-ethyl-5-(4-methoxyphthalazin-1-yl)-2-methylbenzenesulfonamide (CID 3149669) is N-ethyl-5-(4-methoxyphthalazin-1-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-ethyl-5-(4-methoxyphthalazin-1-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-ethyl-5-(4-methoxyphthalazin-1-yl)-2-methylbenzenesulfonamide is CCNS(=O)(=O)c1cc(-c2nnc(OC)c3ccccc23)ccc1C.
What is the InChIKey of N-ethyl-5-(4-methoxyphthalazin-1-yl)-2-methylbenzenesulfonamide?
The InChIKey is BQWLRNJHCQMOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-4-19-25(22,23)16-11-13(10-9-12(16)2)17-14-7-5-6-8-15(14)18(24-3)21-20-17/h5-11,19H,4H2,1-3H3.
What are the key properties of N-ethyl-5-(4-methoxyphthalazin-1-yl)-2-methylbenzenesulfonamide?
N-ethyl-5-(4-methoxyphthalazin-1-yl)-2-methylbenzenesulfonamide has a molecular weight of 357.44 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(4-methoxyphthalazin-1-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 3149669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).