N'-aminobenzenesulfonohydrazide

C6H9N3O2S — CID 53420328

IUPACN'-aminobenzenesulfonohydrazide
SMILESNNNS(=O)(=O)c1ccccc1
InChIInChI=1S/C6H9N3O2S/c7-8-9-12(10,11)6-4-2-1-3-5-6/h1-5,8-9H,7H2
InChIKeyDFLNYUMYPCLEDC-UHFFFAOYSA-N
MW187.22 g/mol
LogP-0.66
Rot. Bonds3

About N'-aminobenzenesulfonohydrazide

N'-aminobenzenesulfonohydrazide (PubChem CID 53420328) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is N'-aminobenzenesulfonohydrazide.

Molecular Properties

Compound NameN'-aminobenzenesulfonohydrazide
PubChem CID53420328
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC NameN'-aminobenzenesulfonohydrazide
SMILESNNNS(=O)(=O)c1ccccc1
InChIInChI=1S/C6H9N3O2S/c7-8-9-12(10,11)6-4-2-1-3-5-6/h1-5,8-9H,7H2
InChIKeyDFLNYUMYPCLEDC-UHFFFAOYSA-N
XLogP-0.66
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

benzenesulfonohydrazide;hydrate
CID 21414143
N-(benzenesulfonyl)benzenesulfonamide;silver
CID 175421278
N-sulfamoylbenzenesulfonamide
CID 54343510
CID 88793655
CID 88793655
N-[(E)-2-aminoethenyl]benzenesulfonamide
CID 66690063
2-amino-N'-(benzenesulfonyl)-2-methylpropanehydrazide
CID 67519869
sodium N'-(benzenesulfonyl)benzohydrazide
CID 54612136
benzenesulfonohydrazide;(E)-carbamoyliminourea
CID 18359618
N-nitrosobenzenesulfonamide
CID 57254362
ethane;methane;N-methylbenzenesulfonamide
CID 159487495
sodium;N-bromobenzenesulfonamide;hydride
CID 139243584
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712

Frequently Asked Questions

What is the IUPAC name of N'-aminobenzenesulfonohydrazide?
The IUPAC name of N'-aminobenzenesulfonohydrazide (CID 53420328) is N'-aminobenzenesulfonohydrazide.
What is the SMILES notation for N'-aminobenzenesulfonohydrazide?
The canonical SMILES for N'-aminobenzenesulfonohydrazide is NNNS(=O)(=O)c1ccccc1.
What is the InChIKey of N'-aminobenzenesulfonohydrazide?
The InChIKey is DFLNYUMYPCLEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c7-8-9-12(10,11)6-4-2-1-3-5-6/h1-5,8-9H,7H2.
What are the key properties of N'-aminobenzenesulfonohydrazide?
N'-aminobenzenesulfonohydrazide has a molecular weight of 187.22 g/mol, XLogP of -0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-aminobenzenesulfonohydrazide is sourced from PubChem (CID 53420328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).