5-(6-oxo-1H-pyridazin-3-yl)-N-phenylthiophene-2-sulfonamide

C14H11N3O3S2 — CID 45106670

IUPAC5-(6-oxo-1H-pyridazin-3-yl)-N-phenylthiophene-2-sulfonamide
SMILESO=c1ccc(-c2ccc(S(=O)(=O)Nc3ccccc3)s2)n[nH]1
InChIInChI=1S/C14H11N3O3S2/c18-13-8-6-11(15-16-13)12-7-9-14(21-12)22(19,20)17-10-4-2-1-3-5-10/h1-9,17H,(H,16,18)
InChIKeyZKECRZIRCBWEDR-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.30
Rot. Bonds4

About 5-(6-oxo-1H-pyridazin-3-yl)-N-phenylthiophene-2-sulfonamide

5-(6-oxo-1H-pyridazin-3-yl)-N-phenylthiophene-2-sulfonamide (PubChem CID 45106670) has the molecular formula C14H11N3O3S2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 5-(6-oxo-1H-pyridazin-3-yl)-N-phenylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(6-oxo-1H-pyridazin-3-yl)-N-phenylthiophene-2-sulfonamide
PubChem CID45106670
Molecular FormulaC14H11N3O3S2
Molecular Weight333.39 g/mol
Exact Mass333.02
IUPAC Name5-(6-oxo-1H-pyridazin-3-yl)-N-phenylthiophene-2-sulfonamide
SMILESO=c1ccc(-c2ccc(S(=O)(=O)Nc3ccccc3)s2)n[nH]1
InChIInChI=1S/C14H11N3O3S2/c18-13-8-6-11(15-16-13)12-7-9-14(21-12)22(19,20)17-10-4-2-1-3-5-10/h1-9,17H,(H,16,18)
InChIKeyZKECRZIRCBWEDR-UHFFFAOYSA-N
XLogP2.30
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(E)-[(1Z)-1-(benzenesulfonyl)-1-[(4-sulfamoylphenyl)hydrazinylidene]propan-2-ylidene]amino]thiophene-2-carboxamide
CID 73056454
N-(4-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20969996
N-(3-nitrophenyl)-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 24789935
5-(6-Oxo-1,6-dihydropyridazin-3-YL)-N-(5,6,7,8-tetrahydronaphthalen-1-YL)thiophene-2-sulfonamide
CID 20923078
4-[2-[(E)-3-thiophen-2-ylprop-2-enoyl]hydrazinyl]benzenesulfonamide
CID 2465706
6-{5-[(4-Phenylpiperazin-1-YL)sulfonyl]thiophen-2-YL}-2,3-dihydropyridazin-3-one
CID 20923024
N-benzyl-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 45106660
N-(3-fluorophenyl)-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 20923017
N-(3-fluoro-4-methylphenyl)-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 20923059
N-(3-chloro-4-fluorophenyl)-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 20923061
N-(4-fluoro-2-methylphenyl)-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 20923065
N-(2-fluorophenyl)-5-(6-oxo-1,6-dihydropyridazin-3-yl)-N-propylthiophene-2-sulfonamide
CID 20939816

Frequently Asked Questions

What is the IUPAC name of 5-(6-oxo-1H-pyridazin-3-yl)-N-phenylthiophene-2-sulfonamide?
The IUPAC name of 5-(6-oxo-1H-pyridazin-3-yl)-N-phenylthiophene-2-sulfonamide (CID 45106670) is 5-(6-oxo-1H-pyridazin-3-yl)-N-phenylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(6-oxo-1H-pyridazin-3-yl)-N-phenylthiophene-2-sulfonamide?
The canonical SMILES for 5-(6-oxo-1H-pyridazin-3-yl)-N-phenylthiophene-2-sulfonamide is O=c1ccc(-c2ccc(S(=O)(=O)Nc3ccccc3)s2)n[nH]1.
What is the InChIKey of 5-(6-oxo-1H-pyridazin-3-yl)-N-phenylthiophene-2-sulfonamide?
The InChIKey is ZKECRZIRCBWEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S2/c18-13-8-6-11(15-16-13)12-7-9-14(21-12)22(19,20)17-10-4-2-1-3-5-10/h1-9,17H,(H,16,18).
What are the key properties of 5-(6-oxo-1H-pyridazin-3-yl)-N-phenylthiophene-2-sulfonamide?
5-(6-oxo-1H-pyridazin-3-yl)-N-phenylthiophene-2-sulfonamide has a molecular weight of 333.39 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-oxo-1H-pyridazin-3-yl)-N-phenylthiophene-2-sulfonamide is sourced from PubChem (CID 45106670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).