benzenesulfonohydrazide;(E)-carbamoyliminourea

C8H12N6O4S — CID 18359618

IUPACbenzenesulfonohydrazide;(E)-carbamoyliminourea
SMILESNC(=O)/N=N/C(N)=O.NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C6H8N2O2S.C2H4N4O2/c7-8-11(9,10)6-4-2-1-3-5-6;3-1(7)5-6-2(4)8/h1-5,8H,7H2;(H2,3,7)(H2,4,8)/b;6-5+
InChIKeyMWUDXGABLJCPSH-MXDQRGINSA-N
MW288.29 g/mol
LogP-0.57
Rot. Bonds2

About benzenesulfonohydrazide;(E)-carbamoyliminourea

benzenesulfonohydrazide;(E)-carbamoyliminourea (PubChem CID 18359618) has the molecular formula C8H12N6O4S and a molecular weight of 288.29 g/mol. Its IUPAC name is benzenesulfonohydrazide;(E)-carbamoyliminourea.

Molecular Properties

Compound Namebenzenesulfonohydrazide;(E)-carbamoyliminourea
PubChem CID18359618
Molecular FormulaC8H12N6O4S
Molecular Weight288.29 g/mol
Exact Mass288.06
IUPAC Namebenzenesulfonohydrazide;(E)-carbamoyliminourea
SMILESNC(=O)/N=N/C(N)=O.NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C6H8N2O2S.C2H4N4O2/c7-8-11(9,10)6-4-2-1-3-5-6;3-1(7)5-6-2(4)8/h1-5,8H,7H2;(H2,3,7)(H2,4,8)/b;6-5+
InChIKeyMWUDXGABLJCPSH-MXDQRGINSA-N
XLogP-0.57
TPSA183.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'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 benzenesulfonohydrazide;(E)-carbamoyliminourea?
The IUPAC name of benzenesulfonohydrazide;(E)-carbamoyliminourea (CID 18359618) is benzenesulfonohydrazide;(E)-carbamoyliminourea.
What is the SMILES notation for benzenesulfonohydrazide;(E)-carbamoyliminourea?
The canonical SMILES for benzenesulfonohydrazide;(E)-carbamoyliminourea is NC(=O)/N=N/C(N)=O.NNS(=O)(=O)c1ccccc1.
What is the InChIKey of benzenesulfonohydrazide;(E)-carbamoyliminourea?
The InChIKey is MWUDXGABLJCPSH-MXDQRGINSA-N. The full InChI is InChI=1S/C6H8N2O2S.C2H4N4O2/c7-8-11(9,10)6-4-2-1-3-5-6;3-1(7)5-6-2(4)8/h1-5,8H,7H2;(H2,3,7)(H2,4,8)/b;6-5+.
What are the key properties of benzenesulfonohydrazide;(E)-carbamoyliminourea?
benzenesulfonohydrazide;(E)-carbamoyliminourea has a molecular weight of 288.29 g/mol, XLogP of -0.57, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonohydrazide;(E)-carbamoyliminourea is sourced from PubChem (CID 18359618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).