4-nitro-N-pyridazin-3-ylbenzenesulfonamide

C10H8N4O4S — CID 127501672

IUPAC4-nitro-N-pyridazin-3-ylbenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccnn2)cc1
InChIInChI=1S/C10H8N4O4S/c15-14(16)8-3-5-9(6-4-8)19(17,18)13-10-2-1-7-11-12-10/h1-7H,(H,12,13)
InChIKeyMWWDVQZXMARURX-UHFFFAOYSA-N
MW280.26 g/mol
LogP1.19
Rot. Bonds4

About 4-nitro-N-pyridazin-3-ylbenzenesulfonamide

4-nitro-N-pyridazin-3-ylbenzenesulfonamide (PubChem CID 127501672) has the molecular formula C10H8N4O4S and a molecular weight of 280.26 g/mol. Its IUPAC name is 4-nitro-N-pyridazin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-nitro-N-pyridazin-3-ylbenzenesulfonamide
PubChem CID127501672
Molecular FormulaC10H8N4O4S
Molecular Weight280.26 g/mol
Exact Mass280.03
IUPAC Name4-nitro-N-pyridazin-3-ylbenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccnn2)cc1
InChIInChI=1S/C10H8N4O4S/c15-14(16)8-3-5-9(6-4-8)19(17,18)13-10-2-1-7-11-12-10/h1-7H,(H,12,13)
InChIKeyMWWDVQZXMARURX-UHFFFAOYSA-N
XLogP1.19
TPSA115.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

4-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 118115921
4-acetyl-N-pyridazin-3-ylbenzenesulfonamide
CID 116787283
N-(6-bromo-2-pyridinyl)-4-nitrobenzenesulfonamide
CID 43520632
4-(4-nitrophenoxy)-N-pyridin-2-ylbenzenesulfonamide
CID 1378990
4-amino-2-nitro-N-pyridazin-3-ylbenzenesulfonamide
CID 116787794
5-hydrazinyl-2-nitro-N-pyridazin-3-ylbenzenesulfonamide
CID 116787296
4-(3-hydroxyprop-1-ynyl)-N-pyridazin-3-ylbenzenesulfonamide
CID 116787673
4-fluoro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide
CID 106084156
6-(ethylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide
CID 116787805
4-nitro-N-(2,3,4,5,6-pentamethylphenyl)benzenesulfonamide
CID 101434436
3,3-dimethyl-2-oxo-N-pyridazin-3-yl-1H-indole-5-sulfonamide
CID 167808491
4-(4-nitrophenoxy)-N-pyridin-3-ylbenzenesulfonamide
CID 1355803

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-pyridazin-3-ylbenzenesulfonamide?
The IUPAC name of 4-nitro-N-pyridazin-3-ylbenzenesulfonamide (CID 127501672) is 4-nitro-N-pyridazin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-nitro-N-pyridazin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-nitro-N-pyridazin-3-ylbenzenesulfonamide is O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccnn2)cc1.
What is the InChIKey of 4-nitro-N-pyridazin-3-ylbenzenesulfonamide?
The InChIKey is MWWDVQZXMARURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O4S/c15-14(16)8-3-5-9(6-4-8)19(17,18)13-10-2-1-7-11-12-10/h1-7H,(H,12,13).
What are the key properties of 4-nitro-N-pyridazin-3-ylbenzenesulfonamide?
4-nitro-N-pyridazin-3-ylbenzenesulfonamide has a molecular weight of 280.26 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-pyridazin-3-ylbenzenesulfonamide is sourced from PubChem (CID 127501672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).