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

C16H16N4O3S — CID 157040072

IUPAC2-methyl-1-oxo-4-[[4-(sulfamoylamino)phenyl]methyl]phthalazine
SMILESCn1nc(Cc2ccc(NS(N)(=O)=O)cc2)c2ccccc2c1=O
InChIInChI=1S/C16H16N4O3S/c1-20-16(21)14-5-3-2-4-13(14)15(18-20)10-11-6-8-12(9-7-11)19-24(17,22)23/h2-9,19H,10H2,1H3,(H2,17,22,23)
InChIKeyZBMUKGSKMVACJQ-UHFFFAOYSA-N
MW344.40 g/mol
LogP1.14
Rot. Bonds4

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

2-methyl-1-oxo-4-[[4-(sulfamoylamino)phenyl]methyl]phthalazine (PubChem CID 157040072) 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)phenyl]methyl]phthalazine.

Molecular Properties

Compound Name2-methyl-1-oxo-4-[[4-(sulfamoylamino)phenyl]methyl]phthalazine
PubChem CID157040072
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Name2-methyl-1-oxo-4-[[4-(sulfamoylamino)phenyl]methyl]phthalazine
SMILESCn1nc(Cc2ccc(NS(N)(=O)=O)cc2)c2ccccc2c1=O
InChIInChI=1S/C16H16N4O3S/c1-20-16(21)14-5-3-2-4-13(14)15(18-20)10-11-6-8-12(9-7-11)19-24(17,22)23/h2-9,19H,10H2,1H3,(H2,17,22,23)
InChIKeyZBMUKGSKMVACJQ-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-oxo-4-[[4-(sulfamoylamino)phenyl]methyl]phthalazine?
The IUPAC name of 2-methyl-1-oxo-4-[[4-(sulfamoylamino)phenyl]methyl]phthalazine (CID 157040072) is 2-methyl-1-oxo-4-[[4-(sulfamoylamino)phenyl]methyl]phthalazine.
What is the SMILES notation for 2-methyl-1-oxo-4-[[4-(sulfamoylamino)phenyl]methyl]phthalazine?
The canonical SMILES for 2-methyl-1-oxo-4-[[4-(sulfamoylamino)phenyl]methyl]phthalazine is Cn1nc(Cc2ccc(NS(N)(=O)=O)cc2)c2ccccc2c1=O.
What is the InChIKey of 2-methyl-1-oxo-4-[[4-(sulfamoylamino)phenyl]methyl]phthalazine?
The InChIKey is ZBMUKGSKMVACJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-20-16(21)14-5-3-2-4-13(14)15(18-20)10-11-6-8-12(9-7-11)19-24(17,22)23/h2-9,19H,10H2,1H3,(H2,17,22,23).
What are the key properties of 2-methyl-1-oxo-4-[[4-(sulfamoylamino)phenyl]methyl]phthalazine?
2-methyl-1-oxo-4-[[4-(sulfamoylamino)phenyl]methyl]phthalazine has a molecular weight of 344.40 g/mol, XLogP of 1.14, 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)phenyl]methyl]phthalazine is sourced from PubChem (CID 157040072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).