2-hydrazinylbenzenesulfonic acid;hydrate

C6H10N2O4S — CID 87148445

IUPAC2-hydrazinylbenzenesulfonic acid;hydrate
SMILESNNc1ccccc1S(=O)(=O)O.O
InChIInChI=1S/C6H8N2O3S.H2O/c7-8-5-3-1-2-4-6(5)12(9,10)11;/h1-4,8H,7H2,(H,9,10,11);1H2
InChIKeyFGSYPOJYOMRTGH-UHFFFAOYSA-N
MW206.22 g/mol
LogP-0.61
Rot. Bonds2

About 2-hydrazinylbenzenesulfonic acid;hydrate

2-hydrazinylbenzenesulfonic acid;hydrate (PubChem CID 87148445) has the molecular formula C6H10N2O4S and a molecular weight of 206.22 g/mol. Its IUPAC name is 2-hydrazinylbenzenesulfonic acid;hydrate.

Molecular Properties

Compound Name2-hydrazinylbenzenesulfonic acid;hydrate
PubChem CID87148445
Molecular FormulaC6H10N2O4S
Molecular Weight206.22 g/mol
Exact Mass206.04
IUPAC Name2-hydrazinylbenzenesulfonic acid;hydrate
SMILESNNc1ccccc1S(=O)(=O)O.O
InChIInChI=1S/C6H8N2O3S.H2O/c7-8-5-3-1-2-4-6(5)12(9,10)11;/h1-4,8H,7H2,(H,9,10,11);1H2
InChIKeyFGSYPOJYOMRTGH-UHFFFAOYSA-N
XLogP-0.61
TPSA123.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 5-0.61
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'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1-(diazonioamino)-2-sulfobenzene
CID 174575505
sodium 2-hydrazinylbenzenesulfonate
CID 23680694
2-(2-hydroxyethylamino)benzenesulfonic acid
CID 20512895
2-[(2Z)-2-(2-amino-1-cyano-2-oxoethylidene)hydrazinyl]benzenesulfonic acid
CID 139142208
2-[(4-aminocyclohexyl)amino]benzenesulfonic acid
CID 54476877
N-ethyl-2-hydrazinylbenzenesulfonamide
CID 43454365
2-hydrazinyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 61377131
2-hydrazinyl-N-(5-methylhexyl)benzenesulfonamide
CID 113287642
2-(2-methoxyanilino)benzenesulfonic acid
CID 54523549
N-benzyl-2-hydrazinylbenzenesulfonamide
CID 43454886
1-(2-hydrazinylphenyl)sulfonylpiperidin-4-ol
CID 43383525
4-oxo-4-(2-sulfoanilino)but-2-enoic acid
CID 54030607

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinylbenzenesulfonic acid;hydrate?
The IUPAC name of 2-hydrazinylbenzenesulfonic acid;hydrate (CID 87148445) is 2-hydrazinylbenzenesulfonic acid;hydrate.
What is the SMILES notation for 2-hydrazinylbenzenesulfonic acid;hydrate?
The canonical SMILES for 2-hydrazinylbenzenesulfonic acid;hydrate is NNc1ccccc1S(=O)(=O)O.O.
What is the InChIKey of 2-hydrazinylbenzenesulfonic acid;hydrate?
The InChIKey is FGSYPOJYOMRTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3S.H2O/c7-8-5-3-1-2-4-6(5)12(9,10)11;/h1-4,8H,7H2,(H,9,10,11);1H2.
What are the key properties of 2-hydrazinylbenzenesulfonic acid;hydrate?
2-hydrazinylbenzenesulfonic acid;hydrate has a molecular weight of 206.22 g/mol, XLogP of -0.61, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinylbenzenesulfonic acid;hydrate is sourced from PubChem (CID 87148445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).