2-hydrazinyl-4-nitro-N-(1,2,4-triazin-3-yl)benzenesulfonamide

C9H9N7O4S — CID 114388268

IUPAC2-hydrazinyl-4-nitro-N-(1,2,4-triazin-3-yl)benzenesulfonamide
SMILESNNc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nccnn1
InChIInChI=1S/C9H9N7O4S/c10-13-7-5-6(16(17)18)1-2-8(7)21(19,20)15-9-11-3-4-12-14-9/h1-5,13H,10H2,(H,11,14,15)
InChIKeyIMBWPLHZPZYADE-UHFFFAOYSA-N
MW311.28 g/mol
LogP-0.13
Rot. Bonds5

About 2-hydrazinyl-4-nitro-N-(1,2,4-triazin-3-yl)benzenesulfonamide

2-hydrazinyl-4-nitro-N-(1,2,4-triazin-3-yl)benzenesulfonamide (PubChem CID 114388268) has the molecular formula C9H9N7O4S and a molecular weight of 311.28 g/mol. Its IUPAC name is 2-hydrazinyl-4-nitro-N-(1,2,4-triazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-hydrazinyl-4-nitro-N-(1,2,4-triazin-3-yl)benzenesulfonamide
PubChem CID114388268
Molecular FormulaC9H9N7O4S
Molecular Weight311.28 g/mol
Exact Mass311.04
IUPAC Name2-hydrazinyl-4-nitro-N-(1,2,4-triazin-3-yl)benzenesulfonamide
SMILESNNc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nccnn1
InChIInChI=1S/C9H9N7O4S/c10-13-7-5-6(16(17)18)1-2-8(7)21(19,20)15-9-11-3-4-12-14-9/h1-5,13H,10H2,(H,11,14,15)
InChIKeyIMBWPLHZPZYADE-UHFFFAOYSA-N
XLogP-0.13
TPSA166.03 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.28
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
CID 43142196
2-amino-5-nitro-N-pyrimidin-2-ylbenzenesulfonamide
CID 62149589
2-hydrazinyl-4-nitro-N-pentan-3-ylbenzenesulfonamide
CID 43325303
2-hydrazinyl-N,N-dimethyl-4-nitrobenzenesulfonamide
CID 43142166
5-hydrazinyl-2-nitro-N-pyrimidin-2-ylbenzenesulfonamide
CID 60989700
N-[2-[ethyl(methyl)amino]ethyl]-2-hydrazinyl-4-nitrobenzenesulfonamide
CID 62635669
2-hydrazinyl-N-morpholin-4-yl-4-nitrobenzenesulfonamide
CID 83018414
2-hydrazinyl-5-nitro-N-(thiadiazol-5-yl)benzenesulfonamide
CID 114912879
2-amino-4-nitro-N-pyrazin-2-ylbenzenesulfonamide
CID 62146847
2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-5-nitrobenzenesulfonamide
CID 64531575
2-(methylamino)-N-(2-methylpyrazol-3-yl)-4-nitrobenzenesulfonamide
CID 62157367
N-(cyclopropylmethyl)-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
CID 60985425

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-4-nitro-N-(1,2,4-triazin-3-yl)benzenesulfonamide?
The IUPAC name of 2-hydrazinyl-4-nitro-N-(1,2,4-triazin-3-yl)benzenesulfonamide (CID 114388268) is 2-hydrazinyl-4-nitro-N-(1,2,4-triazin-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-hydrazinyl-4-nitro-N-(1,2,4-triazin-3-yl)benzenesulfonamide?
The canonical SMILES for 2-hydrazinyl-4-nitro-N-(1,2,4-triazin-3-yl)benzenesulfonamide is NNc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nccnn1.
What is the InChIKey of 2-hydrazinyl-4-nitro-N-(1,2,4-triazin-3-yl)benzenesulfonamide?
The InChIKey is IMBWPLHZPZYADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N7O4S/c10-13-7-5-6(16(17)18)1-2-8(7)21(19,20)15-9-11-3-4-12-14-9/h1-5,13H,10H2,(H,11,14,15).
What are the key properties of 2-hydrazinyl-4-nitro-N-(1,2,4-triazin-3-yl)benzenesulfonamide?
2-hydrazinyl-4-nitro-N-(1,2,4-triazin-3-yl)benzenesulfonamide has a molecular weight of 311.28 g/mol, XLogP of -0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-4-nitro-N-(1,2,4-triazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 114388268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).