2,1,3-benzothiadiazole-4-sulfonohydrazide

C6H6N4O2S2 — CID 586055

IUPAC2,1,3-benzothiadiazole-4-sulfonohydrazide
SMILESNNS(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C6H6N4O2S2/c7-10-14(11,12)5-3-1-2-4-6(5)9-13-8-4/h1-3,10H,7H2
InChIKeyICYBHEXLGWSGEN-UHFFFAOYSA-N
MW230.27 g/mol
LogP-0.16
Rot. Bonds2

About 2,1,3-benzothiadiazole-4-sulfonohydrazide

2,1,3-benzothiadiazole-4-sulfonohydrazide (PubChem CID 586055) has the molecular formula C6H6N4O2S2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2,1,3-benzothiadiazole-4-sulfonohydrazide.

Molecular Properties

Compound Name2,1,3-benzothiadiazole-4-sulfonohydrazide
PubChem CID586055
Molecular FormulaC6H6N4O2S2
Molecular Weight230.27 g/mol
Exact Mass229.99
IUPAC Name2,1,3-benzothiadiazole-4-sulfonohydrazide
SMILESNNS(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C6H6N4O2S2/c7-10-14(11,12)5-3-1-2-4-6(5)9-13-8-4/h1-3,10H,7H2
InChIKeyICYBHEXLGWSGEN-UHFFFAOYSA-N
XLogP-0.16
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(Piperazine-1-sulfonyl)-2,1,3-benzothiadiazole
CID 931485
1-(Phenylsulfonyl)-1H-benzotriazole
CID 750248
4-(Piperidine-1-sulfonyl)-2,1,3-benzothiadiazole
CID 558425
N-phenyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 3585479
2,1,3-Benzothiadiazole, 4-chlorosulfonyl-
CID 2735459
2,1,3-Benzothiadiazole-4-sulfonamide
CID 1382090
N-cyclohexyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 692311
N-(4-fluorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 716427
4-(4-Methylpiperazin-1-yl)sulfonyl-2,1,3-benzothiadiazole
CID 757158
N,N-Dimethyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 541928
N,N-Diethyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 551831
N-methyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 660674

Frequently Asked Questions

What is the IUPAC name of 2,1,3-benzothiadiazole-4-sulfonohydrazide?
The IUPAC name of 2,1,3-benzothiadiazole-4-sulfonohydrazide (CID 586055) is 2,1,3-benzothiadiazole-4-sulfonohydrazide.
What is the SMILES notation for 2,1,3-benzothiadiazole-4-sulfonohydrazide?
The canonical SMILES for 2,1,3-benzothiadiazole-4-sulfonohydrazide is NNS(=O)(=O)c1cccc2nsnc12.
What is the InChIKey of 2,1,3-benzothiadiazole-4-sulfonohydrazide?
The InChIKey is ICYBHEXLGWSGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O2S2/c7-10-14(11,12)5-3-1-2-4-6(5)9-13-8-4/h1-3,10H,7H2.
What are the key properties of 2,1,3-benzothiadiazole-4-sulfonohydrazide?
2,1,3-benzothiadiazole-4-sulfonohydrazide has a molecular weight of 230.27 g/mol, XLogP of -0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,1,3-benzothiadiazole-4-sulfonohydrazide is sourced from PubChem (CID 586055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).