4-[[4-[methyl(sulfamoyl)amino]phenyl]methyl]-1-oxo-2H-phthalazine

C16H16N4O3S — CID 157040103

IUPAC4-[[4-[methyl(sulfamoyl)amino]phenyl]methyl]-1-oxo-2H-phthalazine
SMILESCN(c1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1)S(N)(=O)=O
InChIInChI=1S/C16H16N4O3S/c1-20(24(17,22)23)12-8-6-11(7-9-12)10-15-13-4-2-3-5-14(13)16(21)19-18-15/h2-9H,10H2,1H3,(H,19,21)(H2,17,22,23)
InChIKeyUAVSNVQAIAZYFO-UHFFFAOYSA-N
MW344.40 g/mol
LogP1.15
Rot. Bonds4

About 4-[[4-[methyl(sulfamoyl)amino]phenyl]methyl]-1-oxo-2H-phthalazine

4-[[4-[methyl(sulfamoyl)amino]phenyl]methyl]-1-oxo-2H-phthalazine (PubChem CID 157040103) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is 4-[[4-[methyl(sulfamoyl)amino]phenyl]methyl]-1-oxo-2H-phthalazine.

Molecular Properties

Compound Name4-[[4-[methyl(sulfamoyl)amino]phenyl]methyl]-1-oxo-2H-phthalazine
PubChem CID157040103
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Name4-[[4-[methyl(sulfamoyl)amino]phenyl]methyl]-1-oxo-2H-phthalazine
SMILESCN(c1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1)S(N)(=O)=O
InChIInChI=1S/C16H16N4O3S/c1-20(24(17,22)23)12-8-6-11(7-9-12)10-15-13-4-2-3-5-14(13)16(21)19-18-15/h2-9H,10H2,1H3,(H,19,21)(H2,17,22,23)
InChIKeyUAVSNVQAIAZYFO-UHFFFAOYSA-N
XLogP1.15
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-methyl-N-[4-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]carbamate
CID 157040156
4-[(N-methylanilino)methyl]-2H-phthalazin-1-one
CID 1482312
4-[(3-ethyl-4-fluorophenyl)methyl]-2H-phthalazin-1-one
CID 148786436
CID 101350938
CID 101350938
4-[(4-amino-2,6-dimethylphenyl)methyl]-2H-phthalazin-1-one
CID 177195970
4-[(3-acetyl-4-fluorophenyl)methyl]-2H-phthalazin-1-one
CID 70255127
tert-butyl N-[[4-[(6,7-dimethoxy-4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-methylsulfamoyl]carbamate
CID 167430137
4-(hydroxymethyl)-2H-phthalazin-1-one
CID 12649892
4-(2-methylpropyl)-2H-phthalazin-1-one
CID 10035755
4-[(3-propan-2-yloxyphenyl)methyl]-2H-phthalazin-1-one
CID 82371112
4-benzyl-5-methoxy-2H-phthalazin-1-one
CID 58763958
4-[[3-(4-cyclobutylsulfonylpiperazine-1-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one
CID 167984981

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[methyl(sulfamoyl)amino]phenyl]methyl]-1-oxo-2H-phthalazine?
The IUPAC name of 4-[[4-[methyl(sulfamoyl)amino]phenyl]methyl]-1-oxo-2H-phthalazine (CID 157040103) is 4-[[4-[methyl(sulfamoyl)amino]phenyl]methyl]-1-oxo-2H-phthalazine.
What is the SMILES notation for 4-[[4-[methyl(sulfamoyl)amino]phenyl]methyl]-1-oxo-2H-phthalazine?
The canonical SMILES for 4-[[4-[methyl(sulfamoyl)amino]phenyl]methyl]-1-oxo-2H-phthalazine is CN(c1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1)S(N)(=O)=O.
What is the InChIKey of 4-[[4-[methyl(sulfamoyl)amino]phenyl]methyl]-1-oxo-2H-phthalazine?
The InChIKey is UAVSNVQAIAZYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-20(24(17,22)23)12-8-6-11(7-9-12)10-15-13-4-2-3-5-14(13)16(21)19-18-15/h2-9H,10H2,1H3,(H,19,21)(H2,17,22,23).
What are the key properties of 4-[[4-[methyl(sulfamoyl)amino]phenyl]methyl]-1-oxo-2H-phthalazine?
4-[[4-[methyl(sulfamoyl)amino]phenyl]methyl]-1-oxo-2H-phthalazine has a molecular weight of 344.40 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[methyl(sulfamoyl)amino]phenyl]methyl]-1-oxo-2H-phthalazine is sourced from PubChem (CID 157040103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).