1-[2-(benzenesulfonyl)phenyl]-5-hydroxy-4-oxopyridazine-3-carboxamide

C17H13N3O5S — CID 123572189

IUPAC1-[2-(benzenesulfonyl)phenyl]-5-hydroxy-4-oxopyridazine-3-carboxamide
SMILESNC(=O)c1nn(-c2ccccc2S(=O)(=O)c2ccccc2)cc(O)c1=O
InChIInChI=1S/C17H13N3O5S/c18-17(23)15-16(22)13(21)10-20(19-15)12-8-4-5-9-14(12)26(24,25)11-6-2-1-3-7-11/h1-10,21H,(H2,18,23)
InChIKeyRIGVVPICOZTZKX-UHFFFAOYSA-N
MW371.37 g/mol
LogP0.87
Rot. Bonds4

About 1-[2-(benzenesulfonyl)phenyl]-5-hydroxy-4-oxopyridazine-3-carboxamide

1-[2-(benzenesulfonyl)phenyl]-5-hydroxy-4-oxopyridazine-3-carboxamide (PubChem CID 123572189) has the molecular formula C17H13N3O5S and a molecular weight of 371.37 g/mol. Its IUPAC name is 1-[2-(benzenesulfonyl)phenyl]-5-hydroxy-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(benzenesulfonyl)phenyl]-5-hydroxy-4-oxopyridazine-3-carboxamide
PubChem CID123572189
Molecular FormulaC17H13N3O5S
Molecular Weight371.37 g/mol
Exact Mass371.06
IUPAC Name1-[2-(benzenesulfonyl)phenyl]-5-hydroxy-4-oxopyridazine-3-carboxamide
SMILESNC(=O)c1nn(-c2ccccc2S(=O)(=O)c2ccccc2)cc(O)c1=O
InChIInChI=1S/C17H13N3O5S/c18-17(23)15-16(22)13(21)10-20(19-15)12-8-4-5-9-14(12)26(24,25)11-6-2-1-3-7-11/h1-10,21H,(H2,18,23)
InChIKeyRIGVVPICOZTZKX-UHFFFAOYSA-N
XLogP0.87
TPSA132.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(3-chlorophenyl)sulfonylphenyl]-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide
CID 117961797
1-[2-(Benzenesulfonyl)phenyl]-5-hydroxy-4-oxopyridazine-3-carboxylic acid
CID 117961879
3-Acetyl-5-hydroxy-1-(4-methylsulfonylphenyl)pyridazin-4-one
CID 122448877
1-[2-(benzenesulfonyl)phenyl]-N-benzyl-5-hydroxy-4-oxopyridazine-3-carboxamide
CID 123285887
Ethyl 1-[2-(benzenesulfonyl)phenyl]-5-hydroxy-4-oxopyridazine-3-carboxylate
CID 123929243
1-[2-(3-chlorophenyl)sulfanylphenyl]-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide
CID 137506460
1-[2-(benzenesulfonyl)phenyl]-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide
CID 137506476
Ethyl 1-(2-cyclohexa-1,5-dien-1-ylsulfonylphenyl)-5-hydroxy-4-oxopyridazine-3-carboxylate
CID 144807892
N-benzyl-1-[2-(cyclohepta-1,3,6-trien-1-yl-oxo-phosphanylidene-lambda6-sulfanyl)phenyl]-5-hydroxy-4-oxopyridazine-3-carboxamide
CID 144807922
1-[2-[(3E)-hexa-1,3,5-trien-3-yl]sulfonylphenyl]-5-hydroxy-4-oxopyridazine-3-carboxylic acid
CID 144808065
3-Acetyl-1-[2-(benzenesulfonyl)phenyl]-5-hydroxypyridazin-4-one
CID 157502279

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzenesulfonyl)phenyl]-5-hydroxy-4-oxopyridazine-3-carboxamide?
The IUPAC name of 1-[2-(benzenesulfonyl)phenyl]-5-hydroxy-4-oxopyridazine-3-carboxamide (CID 123572189) is 1-[2-(benzenesulfonyl)phenyl]-5-hydroxy-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-[2-(benzenesulfonyl)phenyl]-5-hydroxy-4-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-[2-(benzenesulfonyl)phenyl]-5-hydroxy-4-oxopyridazine-3-carboxamide is NC(=O)c1nn(-c2ccccc2S(=O)(=O)c2ccccc2)cc(O)c1=O.
What is the InChIKey of 1-[2-(benzenesulfonyl)phenyl]-5-hydroxy-4-oxopyridazine-3-carboxamide?
The InChIKey is RIGVVPICOZTZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O5S/c18-17(23)15-16(22)13(21)10-20(19-15)12-8-4-5-9-14(12)26(24,25)11-6-2-1-3-7-11/h1-10,21H,(H2,18,23).
What are the key properties of 1-[2-(benzenesulfonyl)phenyl]-5-hydroxy-4-oxopyridazine-3-carboxamide?
1-[2-(benzenesulfonyl)phenyl]-5-hydroxy-4-oxopyridazine-3-carboxamide has a molecular weight of 371.37 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzenesulfonyl)phenyl]-5-hydroxy-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 123572189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).