2-hydrazinyl-5-nitro-N-(thiadiazol-5-yl)benzenesulfonamide

C8H8N6O4S2 — CID 114912879

IUPAC2-hydrazinyl-5-nitro-N-(thiadiazol-5-yl)benzenesulfonamide
SMILESNNc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnns1
InChIInChI=1S/C8H8N6O4S2/c9-11-6-2-1-5(14(15)16)3-7(6)20(17,18)12-8-4-10-13-19-8/h1-4,11-12H,9H2
InChIKeySFOONPCJTXEYOB-UHFFFAOYSA-N
MW316.32 g/mol
LogP0.53
Rot. Bonds5

About 2-hydrazinyl-5-nitro-N-(thiadiazol-5-yl)benzenesulfonamide

2-hydrazinyl-5-nitro-N-(thiadiazol-5-yl)benzenesulfonamide (PubChem CID 114912879) has the molecular formula C8H8N6O4S2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 2-hydrazinyl-5-nitro-N-(thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-hydrazinyl-5-nitro-N-(thiadiazol-5-yl)benzenesulfonamide
PubChem CID114912879
Molecular FormulaC8H8N6O4S2
Molecular Weight316.32 g/mol
Exact Mass316.00
IUPAC Name2-hydrazinyl-5-nitro-N-(thiadiazol-5-yl)benzenesulfonamide
SMILESNNc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnns1
InChIInChI=1S/C8H8N6O4S2/c9-11-6-2-1-5(14(15)16)3-7(6)20(17,18)12-8-4-10-13-19-8/h1-4,11-12H,9H2
InChIKeySFOONPCJTXEYOB-UHFFFAOYSA-N
XLogP0.53
TPSA153.14 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 50.53
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-chloro-5-nitro-N-(thiadiazol-5-yl)benzenesulfonamide
CID 114912145
2-fluoro-6-hydrazinyl-4-nitro-N-(thiadiazol-5-yl)benzenesulfonamide
CID 114912901
2-hydrazinyl-5-nitro-N-thiophen-3-ylbenzenesulfonamide
CID 66355013
2-hydrazinyl-N-(2-methylpropyl)-5-nitrobenzenesulfonamide
CID 43325298
2-hydrazinyl-5-nitro-N-(2-sulfamoylethyl)benzenesulfonamide
CID 43552599
2-hydrazinyl-N-morpholin-4-yl-5-nitrobenzenesulfonamide
CID 83018413
N-cyclohexyl-2-hydrazinyl-5-nitrobenzenesulfonamide
CID 43142170
N-(cyclopropylmethyl)-2-hydrazinyl-5-nitrobenzenesulfonamide
CID 43325324
2-hydrazinyl-4-nitro-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114388268
N-[1-(dimethylamino)propan-2-yl]-2-hydrazinyl-5-nitrobenzenesulfonamide
CID 82939806
2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-5-nitrobenzenesulfonamide
CID 64531575
2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
CID 43142196

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-5-nitro-N-(thiadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 2-hydrazinyl-5-nitro-N-(thiadiazol-5-yl)benzenesulfonamide (CID 114912879) is 2-hydrazinyl-5-nitro-N-(thiadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-hydrazinyl-5-nitro-N-(thiadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-hydrazinyl-5-nitro-N-(thiadiazol-5-yl)benzenesulfonamide is NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnns1.
What is the InChIKey of 2-hydrazinyl-5-nitro-N-(thiadiazol-5-yl)benzenesulfonamide?
The InChIKey is SFOONPCJTXEYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6O4S2/c9-11-6-2-1-5(14(15)16)3-7(6)20(17,18)12-8-4-10-13-19-8/h1-4,11-12H,9H2.
What are the key properties of 2-hydrazinyl-5-nitro-N-(thiadiazol-5-yl)benzenesulfonamide?
2-hydrazinyl-5-nitro-N-(thiadiazol-5-yl)benzenesulfonamide has a molecular weight of 316.32 g/mol, XLogP of 0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-5-nitro-N-(thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 114912879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).