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

C14H10N4O5S2 — CID 24789935

IUPACN-(3-nitrophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESO=c1ccc(-c2ccc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)s2)n[nH]1
InChIInChI=1S/C14H10N4O5S2/c19-13-6-4-11(15-16-13)12-5-7-14(24-12)25(22,23)17-9-2-1-3-10(8-9)18(20)21/h1-8,17H,(H,16,19)
InChIKeyNWHOPOHRFRDQKB-UHFFFAOYSA-N
MW378.39 g/mol
LogP2.21
Rot. Bonds5

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

N-(3-nitrophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (PubChem CID 24789935) has the molecular formula C14H10N4O5S2 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-(3-nitrophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-nitrophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
PubChem CID24789935
Molecular FormulaC14H10N4O5S2
Molecular Weight378.39 g/mol
Exact Mass378.01
IUPAC NameN-(3-nitrophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESO=c1ccc(-c2ccc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)s2)n[nH]1
InChIInChI=1S/C14H10N4O5S2/c19-13-6-4-11(15-16-13)12-5-7-14(24-12)25(22,23)17-9-2-1-3-10(8-9)18(20)21/h1-8,17H,(H,16,19)
InChIKeyNWHOPOHRFRDQKB-UHFFFAOYSA-N
XLogP2.21
TPSA135.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20969996
5-(6-oxo-1,6-dihydropyridazin-3-yl)-N-phenylthiophene-2-sulfonamide
CID 45106670
N-(3-fluorophenyl)-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 20923017
N-(2,4-difluorophenyl)-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 20923010
N-(3,4-difluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20939795
N-[3-(Methylsulfanyl)phenyl]-5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamide
CID 20923048
4-nitro-N-(2-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)ethyl)benzenesulfonamide
CID 16905789
4-(6-oxo-1,6-dihydropyridazin-3-yl)-N-phenylthiophene-2-sulfonamide
CID 53134952

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-nitrophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (CID 24789935) is N-(3-nitrophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-nitrophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-nitrophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is O=c1ccc(-c2ccc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)s2)n[nH]1.
What is the InChIKey of N-(3-nitrophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is NWHOPOHRFRDQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O5S2/c19-13-6-4-11(15-16-13)12-5-7-14(24-12)25(22,23)17-9-2-1-3-10(8-9)18(20)21/h1-8,17H,(H,16,19).
What are the key properties of N-(3-nitrophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
N-(3-nitrophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide has a molecular weight of 378.39 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 24789935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).