1-oxo-4-[4-[2-(sulfamoylamino)propan-2-yl]phenyl]-2H-phthalazine

C17H18N4O3S — CID 157040153

IUPAC1-oxo-4-[4-[2-(sulfamoylamino)propan-2-yl]phenyl]-2H-phthalazine
SMILESCC(C)(NS(N)(=O)=O)c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1
InChIInChI=1S/C17H18N4O3S/c1-17(2,21-25(18,23)24)12-9-7-11(8-10-12)15-13-5-3-4-6-14(13)16(22)20-19-15/h3-10,21H,1-2H3,(H,20,22)(H2,18,23,24)
InChIKeyPCNCNYSQEJDHJV-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.62
Rot. Bonds4

About 1-oxo-4-[4-[2-(sulfamoylamino)propan-2-yl]phenyl]-2H-phthalazine

1-oxo-4-[4-[2-(sulfamoylamino)propan-2-yl]phenyl]-2H-phthalazine (PubChem CID 157040153) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is 1-oxo-4-[4-[2-(sulfamoylamino)propan-2-yl]phenyl]-2H-phthalazine.

Molecular Properties

Compound Name1-oxo-4-[4-[2-(sulfamoylamino)propan-2-yl]phenyl]-2H-phthalazine
PubChem CID157040153
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name1-oxo-4-[4-[2-(sulfamoylamino)propan-2-yl]phenyl]-2H-phthalazine
SMILESCC(C)(NS(N)(=O)=O)c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1
InChIInChI=1S/C17H18N4O3S/c1-17(2,21-25(18,23)24)12-9-7-11(8-10-12)15-13-5-3-4-6-14(13)16(22)20-19-15/h3-10,21H,1-2H3,(H,20,22)(H2,18,23,24)
InChIKeyPCNCNYSQEJDHJV-UHFFFAOYSA-N
XLogP1.62
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-oxo-4-[4-[2-(sulfamoylamino)propan-2-yl]phenyl]-2H-phthalazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[2-(sulfamoylamino)propan-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidine
CID 166509596
4-phenyl-2H-phthalazin-1-one;hydrate
CID 51057017
N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-5-(4-oxo-3H-phthalazin-1-yl)benzenesulfonamide
CID 1073223
1-oxo-4-[3-(sulfamoylamino)phenyl]-2H-phthalazine;hydrochloride
CID 157040157
4-(4-pyridin-4-ylphenyl)-2H-phthalazin-1-one
CID 110187221
2-methyl-5-(4-oxo-3H-phthalazin-1-yl)-N-phenylbenzenesulfonamide
CID 1345082
2-chloro-5-(4-oxo-3H-phthalazin-1-yl)benzenesulfonyl chloride
CID 12850964
4-(4-butylphenyl)-2H-phthalazin-1-one
CID 28901933
silver 4-oxo-3H-phthalazin-1-olate
CID 90482828
1-oxo-4-[4-[(1R)-1-(sulfinatoamino)ethyl]phenyl]-2H-phthalazine;hydrochloride
CID 166523645
3-(4-methylsulfonylphenyl)-1H-indazole
CID 72895811
4-(3,4-difluorophenyl)-2H-phthalazin-1-one
CID 28805276

Frequently Asked Questions

What is the IUPAC name of 1-oxo-4-[4-[2-(sulfamoylamino)propan-2-yl]phenyl]-2H-phthalazine?
The IUPAC name of 1-oxo-4-[4-[2-(sulfamoylamino)propan-2-yl]phenyl]-2H-phthalazine (CID 157040153) is 1-oxo-4-[4-[2-(sulfamoylamino)propan-2-yl]phenyl]-2H-phthalazine.
What is the SMILES notation for 1-oxo-4-[4-[2-(sulfamoylamino)propan-2-yl]phenyl]-2H-phthalazine?
The canonical SMILES for 1-oxo-4-[4-[2-(sulfamoylamino)propan-2-yl]phenyl]-2H-phthalazine is CC(C)(NS(N)(=O)=O)c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1.
What is the InChIKey of 1-oxo-4-[4-[2-(sulfamoylamino)propan-2-yl]phenyl]-2H-phthalazine?
The InChIKey is PCNCNYSQEJDHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-17(2,21-25(18,23)24)12-9-7-11(8-10-12)15-13-5-3-4-6-14(13)16(22)20-19-15/h3-10,21H,1-2H3,(H,20,22)(H2,18,23,24).
What are the key properties of 1-oxo-4-[4-[2-(sulfamoylamino)propan-2-yl]phenyl]-2H-phthalazine?
1-oxo-4-[4-[2-(sulfamoylamino)propan-2-yl]phenyl]-2H-phthalazine has a molecular weight of 358.42 g/mol, XLogP of 1.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-4-[4-[2-(sulfamoylamino)propan-2-yl]phenyl]-2H-phthalazine is sourced from PubChem (CID 157040153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).