benzenesulfonohydrazide;hydrate

C12H18N4O5S2 — CID 21414143

IUPACbenzenesulfonohydrazide;hydrate
SMILESNNS(=O)(=O)c1ccccc1.NNS(=O)(=O)c1ccccc1.O
InChIInChI=1S/2C6H8N2O2S.H2O/c2*7-8-11(9,10)6-4-2-1-3-5-6;/h2*1-5,8H,7H2;1H2
InChIKeyNGCRRLYXKMTLKX-UHFFFAOYSA-N
MW362.43 g/mol
LogP-1.15
Rot. Bonds4

About benzenesulfonohydrazide;hydrate

benzenesulfonohydrazide;hydrate (PubChem CID 21414143) has the molecular formula C12H18N4O5S2 and a molecular weight of 362.43 g/mol. Its IUPAC name is benzenesulfonohydrazide;hydrate.

Molecular Properties

Compound Namebenzenesulfonohydrazide;hydrate
PubChem CID21414143
Molecular FormulaC12H18N4O5S2
Molecular Weight362.43 g/mol
Exact Mass362.07
IUPAC Namebenzenesulfonohydrazide;hydrate
SMILESNNS(=O)(=O)c1ccccc1.NNS(=O)(=O)c1ccccc1.O
InChIInChI=1S/2C6H8N2O2S.H2O/c2*7-8-11(9,10)6-4-2-1-3-5-6;/h2*1-5,8H,7H2;1H2
InChIKeyNGCRRLYXKMTLKX-UHFFFAOYSA-N
XLogP-1.15
TPSA175.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 5-1.15
H-Bond Donors ≤ 54
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

benzenesulfonohydrazide;(E)-carbamoyliminourea
CID 18359618
N'-aminobenzenesulfonohydrazide
CID 53420328
N-(benzenesulfonyl)benzenesulfonamide;silver
CID 175421278
4-methylbenzenesulfonohydrazide
CID 15303
sodium 4-(hydrazinesulfonyl)phenolate
CID 143649981
N-nitrosobenzenesulfonamide
CID 57254362
N-sulfamoylbenzenesulfonamide
CID 54343510
CID 88793655
CID 88793655
3-iodobenzenesulfonohydrazide
CID 171366770
3-chlorobenzenesulfonohydrazide
CID 12924057
4-[[4-(hydrazinesulfonyl)phenyl]methyl]benzenesulfonohydrazide
CID 14048861
N-[(E)-2-aminoethenyl]benzenesulfonamide
CID 66690063

Frequently Asked Questions

What is the IUPAC name of benzenesulfonohydrazide;hydrate?
The IUPAC name of benzenesulfonohydrazide;hydrate (CID 21414143) is benzenesulfonohydrazide;hydrate.
What is the SMILES notation for benzenesulfonohydrazide;hydrate?
The canonical SMILES for benzenesulfonohydrazide;hydrate is NNS(=O)(=O)c1ccccc1.NNS(=O)(=O)c1ccccc1.O.
What is the InChIKey of benzenesulfonohydrazide;hydrate?
The InChIKey is NGCRRLYXKMTLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H8N2O2S.H2O/c2*7-8-11(9,10)6-4-2-1-3-5-6;/h2*1-5,8H,7H2;1H2.
What are the key properties of benzenesulfonohydrazide;hydrate?
benzenesulfonohydrazide;hydrate has a molecular weight of 362.43 g/mol, XLogP of -1.15, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonohydrazide;hydrate is sourced from PubChem (CID 21414143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).