2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine

C16H16N4O3S — CID 157040134

IUPAC2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine
SMILESCn1nc(-c2ccc(CNS(N)(=O)=O)cc2)c2ccccc2c1=O
InChIInChI=1S/C16H16N4O3S/c1-20-16(21)14-5-3-2-4-13(14)15(19-20)12-8-6-11(7-9-12)10-18-24(17,22)23/h2-9,18H,10H2,1H3,(H2,17,22,23)
InChIKeyBTTUZZPUYFEIJE-UHFFFAOYSA-N
MW344.40 g/mol
LogP0.89
Rot. Bonds4

About 2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine

2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine (PubChem CID 157040134) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is 2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine.

Molecular Properties

Compound Name2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine
PubChem CID157040134
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Name2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine
SMILESCn1nc(-c2ccc(CNS(N)(=O)=O)cc2)c2ccccc2c1=O
InChIInChI=1S/C16H16N4O3S/c1-20-16(21)14-5-3-2-4-13(14)15(19-20)12-8-6-11(7-9-12)10-18-24(17,22)23/h2-9,18H,10H2,1H3,(H2,17,22,23)
InChIKeyBTTUZZPUYFEIJE-UHFFFAOYSA-N
XLogP0.89
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)butyl)phthalazin-1(2H)-one
CID 10237099
Enpp-1-IN-19
CID 157040072
2-Methyl-4-(phenylmethyl)phthalazin-1-one
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Ethyl 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanoate
CID 895376
N,N-dimethyl-4-(4-oxo-3H-phthalazin-1-yl)benzamide
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CID 712918
Talastine
CID 65624
4-({3-[(4-Methylpiperazin-1-yl)carbonyl]phenyl}methyl)-1,2-dihydrophthalazin-1-one
CID 25133630
4-[(4-methylphenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one
CID 52937631
N-(4,4-dimethylpentyl)-2-fluoro-4-methyl-5-(2-methyl-1-oxophthalazin-6-yl)benzamide
CID 162643602
N-Methyl-2-(1-oxo-4-p-tolyl-1H-phthalazin-2-yl)-acetamide
CID 714735
2-Methyl-4-[4-methyl-3-(piperidin-1-ylmethyl)phenyl]phthalazin-1-one
CID 752670

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine?
The IUPAC name of 2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine (CID 157040134) is 2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine.
What is the SMILES notation for 2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine?
The canonical SMILES for 2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine is Cn1nc(-c2ccc(CNS(N)(=O)=O)cc2)c2ccccc2c1=O.
What is the InChIKey of 2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine?
The InChIKey is BTTUZZPUYFEIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-20-16(21)14-5-3-2-4-13(14)15(19-20)12-8-6-11(7-9-12)10-18-24(17,22)23/h2-9,18H,10H2,1H3,(H2,17,22,23).
What are the key properties of 2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine?
2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine has a molecular weight of 344.40 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine is sourced from PubChem (CID 157040134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).