3-imidazo[2,1-a]phthalazin-6-yloxy-2,2-dimethylpropane-1-sulfonamide

C15H18N4O3S — CID 10782939

IUPAC3-imidazo[2,1-a]phthalazin-6-yloxy-2,2-dimethylpropane-1-sulfonamide
SMILESCC(C)(COc1nn2ccnc2c2ccccc12)CS(N)(=O)=O
InChIInChI=1S/C15H18N4O3S/c1-15(2,10-23(16,20)21)9-22-14-12-6-4-3-5-11(12)13-17-7-8-19(13)18-14/h3-8H,9-10H2,1-2H3,(H2,16,20,21)
InChIKeyKZGVWADOYJVWGU-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.58
Rot. Bonds5

About 3-imidazo[2,1-a]phthalazin-6-yloxy-2,2-dimethylpropane-1-sulfonamide

3-imidazo[2,1-a]phthalazin-6-yloxy-2,2-dimethylpropane-1-sulfonamide (PubChem CID 10782939) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 3-imidazo[2,1-a]phthalazin-6-yloxy-2,2-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-imidazo[2,1-a]phthalazin-6-yloxy-2,2-dimethylpropane-1-sulfonamide
PubChem CID10782939
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name3-imidazo[2,1-a]phthalazin-6-yloxy-2,2-dimethylpropane-1-sulfonamide
SMILESCC(C)(COc1nn2ccnc2c2ccccc12)CS(N)(=O)=O
InChIInChI=1S/C15H18N4O3S/c1-15(2,10-23(16,20)21)9-22-14-12-6-4-3-5-11(12)13-17-7-8-19(13)18-14/h3-8H,9-10H2,1-2H3,(H2,16,20,21)
InChIKeyKZGVWADOYJVWGU-UHFFFAOYSA-N
XLogP1.58
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-imidazo[2,1-a]phthalazin-6-yloxy-2,2-dimethylpropane-1-sulfonamide?
The IUPAC name of 3-imidazo[2,1-a]phthalazin-6-yloxy-2,2-dimethylpropane-1-sulfonamide (CID 10782939) is 3-imidazo[2,1-a]phthalazin-6-yloxy-2,2-dimethylpropane-1-sulfonamide.
What is the SMILES notation for 3-imidazo[2,1-a]phthalazin-6-yloxy-2,2-dimethylpropane-1-sulfonamide?
The canonical SMILES for 3-imidazo[2,1-a]phthalazin-6-yloxy-2,2-dimethylpropane-1-sulfonamide is CC(C)(COc1nn2ccnc2c2ccccc12)CS(N)(=O)=O.
What is the InChIKey of 3-imidazo[2,1-a]phthalazin-6-yloxy-2,2-dimethylpropane-1-sulfonamide?
The InChIKey is KZGVWADOYJVWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-15(2,10-23(16,20)21)9-22-14-12-6-4-3-5-11(12)13-17-7-8-19(13)18-14/h3-8H,9-10H2,1-2H3,(H2,16,20,21).
What are the key properties of 3-imidazo[2,1-a]phthalazin-6-yloxy-2,2-dimethylpropane-1-sulfonamide?
3-imidazo[2,1-a]phthalazin-6-yloxy-2,2-dimethylpropane-1-sulfonamide has a molecular weight of 334.40 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[2,1-a]phthalazin-6-yloxy-2,2-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 10782939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).