4-[[4-(hydrazinesulfonyl)phenyl]methyl]benzenesulfonohydrazide

C13H16N4O4S2 — CID 14048861

IUPAC4-[[4-(hydrazinesulfonyl)phenyl]methyl]benzenesulfonohydrazide
SMILESNNS(=O)(=O)c1ccc(Cc2ccc(S(=O)(=O)NN)cc2)cc1
InChIInChI=1S/C13H16N4O4S2/c14-16-22(18,19)12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)23(20,21)17-15/h1-8,16-17H,9,14-15H2
InChIKeyMCXCIMIREACWDW-UHFFFAOYSA-N
MW356.43 g/mol
LogP-0.42
Rot. Bonds6

About 4-[[4-(hydrazinesulfonyl)phenyl]methyl]benzenesulfonohydrazide

4-[[4-(hydrazinesulfonyl)phenyl]methyl]benzenesulfonohydrazide (PubChem CID 14048861) has the molecular formula C13H16N4O4S2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-[[4-(hydrazinesulfonyl)phenyl]methyl]benzenesulfonohydrazide.

Molecular Properties

Compound Name4-[[4-(hydrazinesulfonyl)phenyl]methyl]benzenesulfonohydrazide
PubChem CID14048861
Molecular FormulaC13H16N4O4S2
Molecular Weight356.43 g/mol
Exact Mass356.06
IUPAC Name4-[[4-(hydrazinesulfonyl)phenyl]methyl]benzenesulfonohydrazide
SMILESNNS(=O)(=O)c1ccc(Cc2ccc(S(=O)(=O)NN)cc2)cc1
InChIInChI=1S/C13H16N4O4S2/c14-16-22(18,19)12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)23(20,21)17-15/h1-8,16-17H,9,14-15H2
InChIKeyMCXCIMIREACWDW-UHFFFAOYSA-N
XLogP-0.42
TPSA144.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 5-0.42
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

4-butylbenzenesulfonohydrazide
CID 17255521
4-methylbenzenesulfonohydrazide
CID 15303
sodium 4-(hydrazinesulfonyl)phenolate
CID 143649981
4-propan-2-ylbenzenesulfonohydrazide
CID 17372434
2-[4-(methylsulfamoyl)phenyl]acetamide
CID 118211828
ethyl 4-(hydrazinesulfonyl)benzoate
CID 19755145
4-(4-methylphenoxy)benzenesulfonohydrazide
CID 90979703
4-(trifluoromethoxy)benzenesulfonohydrazide
CID 2744727
3,4-dichlorobenzenesulfonohydrazide
CID 2735965
4-(2-methoxyethylamino)benzenesulfonohydrazide
CID 174874042
4-(2-aminobenzoyl)benzenesulfonohydrazide
CID 141007551
4-[4-(2-aminoethyl)phenyl]-N-methylbenzenesulfonamide
CID 171387358

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(hydrazinesulfonyl)phenyl]methyl]benzenesulfonohydrazide?
The IUPAC name of 4-[[4-(hydrazinesulfonyl)phenyl]methyl]benzenesulfonohydrazide (CID 14048861) is 4-[[4-(hydrazinesulfonyl)phenyl]methyl]benzenesulfonohydrazide.
What is the SMILES notation for 4-[[4-(hydrazinesulfonyl)phenyl]methyl]benzenesulfonohydrazide?
The canonical SMILES for 4-[[4-(hydrazinesulfonyl)phenyl]methyl]benzenesulfonohydrazide is NNS(=O)(=O)c1ccc(Cc2ccc(S(=O)(=O)NN)cc2)cc1.
What is the InChIKey of 4-[[4-(hydrazinesulfonyl)phenyl]methyl]benzenesulfonohydrazide?
The InChIKey is MCXCIMIREACWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4S2/c14-16-22(18,19)12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)23(20,21)17-15/h1-8,16-17H,9,14-15H2.
What are the key properties of 4-[[4-(hydrazinesulfonyl)phenyl]methyl]benzenesulfonohydrazide?
4-[[4-(hydrazinesulfonyl)phenyl]methyl]benzenesulfonohydrazide has a molecular weight of 356.43 g/mol, XLogP of -0.42, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(hydrazinesulfonyl)phenyl]methyl]benzenesulfonohydrazide is sourced from PubChem (CID 14048861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).