1,4-dihydrophthalazine-6-sulfonamide

C8H9N3O2S — CID 141491435

IUPAC1,4-dihydrophthalazine-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CN=NC2
InChIInChI=1S/C8H9N3O2S/c9-14(12,13)8-2-1-6-4-10-11-5-7(6)3-8/h1-3H,4-5H2,(H2,9,12,13)
InChIKeyKUNYJIVNRVGULF-UHFFFAOYSA-N
MW211.25 g/mol
LogP0.80
Rot. Bonds1

About 1,4-dihydrophthalazine-6-sulfonamide

1,4-dihydrophthalazine-6-sulfonamide (PubChem CID 141491435) has the molecular formula C8H9N3O2S and a molecular weight of 211.25 g/mol. Its IUPAC name is 1,4-dihydrophthalazine-6-sulfonamide.

Molecular Properties

Compound Name1,4-dihydrophthalazine-6-sulfonamide
PubChem CID141491435
Molecular FormulaC8H9N3O2S
Molecular Weight211.25 g/mol
Exact Mass211.04
IUPAC Name1,4-dihydrophthalazine-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CN=NC2
InChIInChI=1S/C8H9N3O2S/c9-14(12,13)8-2-1-6-4-10-11-5-7(6)3-8/h1-3H,4-5H2,(H2,9,12,13)
InChIKeyKUNYJIVNRVGULF-UHFFFAOYSA-N
XLogP0.80
TPSA84.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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sodium 2-amino-4-sulfamoylphenolate
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3-(pyrrolidine-1-carbonyl)-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonamide
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3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
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1H-indazole-5-sulfonamide
CID 22567171
4-methoxyquinoline-6-sulfonamide
CID 170007480
2,2-dimethyl-3,4-dihydrochromene-7-sulfonamide
CID 142779358
1-formyl-2,3-dihydroindole-5-sulfonamide
CID 89385398
2-N,2-N-dimethyl-3,4-dihydro-1H-isoquinoline-2,7-disulfonamide
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Frequently Asked Questions

What is the IUPAC name of 1,4-dihydrophthalazine-6-sulfonamide?
The IUPAC name of 1,4-dihydrophthalazine-6-sulfonamide (CID 141491435) is 1,4-dihydrophthalazine-6-sulfonamide.
What is the SMILES notation for 1,4-dihydrophthalazine-6-sulfonamide?
The canonical SMILES for 1,4-dihydrophthalazine-6-sulfonamide is NS(=O)(=O)c1ccc2c(c1)CN=NC2.
What is the InChIKey of 1,4-dihydrophthalazine-6-sulfonamide?
The InChIKey is KUNYJIVNRVGULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2S/c9-14(12,13)8-2-1-6-4-10-11-5-7(6)3-8/h1-3H,4-5H2,(H2,9,12,13).
What are the key properties of 1,4-dihydrophthalazine-6-sulfonamide?
1,4-dihydrophthalazine-6-sulfonamide has a molecular weight of 211.25 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydrophthalazine-6-sulfonamide is sourced from PubChem (CID 141491435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).