4-[4-(hydrazinesulfonyl)phenoxy]benzenesulfonohydrazide

C12H14N4O5S2 — CID 6649

IUPAC4-[4-(hydrazinesulfonyl)phenoxy]benzenesulfonohydrazide
SMILESNNS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)NN)cc2)cc1
InChIInChI=1S/C12H14N4O5S2/c13-15-22(17,18)11-5-1-9(2-6-11)21-10-3-7-12(8-4-10)23(19,20)16-14/h1-8,15-16H,13-14H2
InChIKeyNBOCQTNZUPTTEI-UHFFFAOYSA-N
MW358.40 g/mol
LogP-0.22
Rot. Bonds6

About 4-[4-(hydrazinesulfonyl)phenoxy]benzenesulfonohydrazide

4-[4-(hydrazinesulfonyl)phenoxy]benzenesulfonohydrazide (PubChem CID 6649) has the molecular formula C12H14N4O5S2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 4-[4-(hydrazinesulfonyl)phenoxy]benzenesulfonohydrazide.

Molecular Properties

Compound Name4-[4-(hydrazinesulfonyl)phenoxy]benzenesulfonohydrazide
PubChem CID6649
Molecular FormulaC12H14N4O5S2
Molecular Weight358.40 g/mol
Exact Mass358.04
IUPAC Name4-[4-(hydrazinesulfonyl)phenoxy]benzenesulfonohydrazide
SMILESNNS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)NN)cc2)cc1
InChIInChI=1S/C12H14N4O5S2/c13-15-22(17,18)11-5-1-9(2-6-11)21-10-3-7-12(8-4-10)23(19,20)16-14/h1-8,15-16H,13-14H2
InChIKeyNBOCQTNZUPTTEI-UHFFFAOYSA-N
XLogP-0.22
TPSA153.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 5-0.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(hydrazinesulfonyl)phenoxy]benzenesulfonohydrazide?
The IUPAC name of 4-[4-(hydrazinesulfonyl)phenoxy]benzenesulfonohydrazide (CID 6649) is 4-[4-(hydrazinesulfonyl)phenoxy]benzenesulfonohydrazide.
What is the SMILES notation for 4-[4-(hydrazinesulfonyl)phenoxy]benzenesulfonohydrazide?
The canonical SMILES for 4-[4-(hydrazinesulfonyl)phenoxy]benzenesulfonohydrazide is NNS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)NN)cc2)cc1.
What is the InChIKey of 4-[4-(hydrazinesulfonyl)phenoxy]benzenesulfonohydrazide?
The InChIKey is NBOCQTNZUPTTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O5S2/c13-15-22(17,18)11-5-1-9(2-6-11)21-10-3-7-12(8-4-10)23(19,20)16-14/h1-8,15-16H,13-14H2.
What are the key properties of 4-[4-(hydrazinesulfonyl)phenoxy]benzenesulfonohydrazide?
4-[4-(hydrazinesulfonyl)phenoxy]benzenesulfonohydrazide has a molecular weight of 358.40 g/mol, XLogP of -0.22, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(hydrazinesulfonyl)phenoxy]benzenesulfonohydrazide is sourced from PubChem (CID 6649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).