(1Z,2E)-2-(benzoylhydrazinylidene)-N-(4-sulfamoylphenyl)propanehydrazonoyl chloride

C16H16ClN5O3S — CID 73056157

IUPAC(1Z,2E)-2-(benzoylhydrazinylidene)-N-(4-sulfamoylphenyl)propanehydrazonoyl chloride
SMILESCC(=N\NC(=O)c1ccccc1)/C(Cl)=N/Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H16ClN5O3S/c1-11(19-22-16(23)12-5-3-2-4-6-12)15(17)21-20-13-7-9-14(10-8-13)26(18,24)25/h2-10,20H,1H3,(H,22,23)(H2,18,24,25)/b19-11+,21-15-
InChIKeyOCDRLANHZMQOFJ-JUYTWUFESA-N
MW393.86 g/mol
LogP2.10
Rot. Bonds6

About (1Z,2E)-2-(benzoylhydrazinylidene)-N-(4-sulfamoylphenyl)propanehydrazonoyl chloride

(1Z,2E)-2-(benzoylhydrazinylidene)-N-(4-sulfamoylphenyl)propanehydrazonoyl chloride (PubChem CID 73056157) has the molecular formula C16H16ClN5O3S and a molecular weight of 393.86 g/mol. Its IUPAC name is (1Z,2E)-2-(benzoylhydrazinylidene)-N-(4-sulfamoylphenyl)propanehydrazonoyl chloride.

Molecular Properties

Compound Name(1Z,2E)-2-(benzoylhydrazinylidene)-N-(4-sulfamoylphenyl)propanehydrazonoyl chloride
PubChem CID73056157
Molecular FormulaC16H16ClN5O3S
Molecular Weight393.86 g/mol
Exact Mass393.07
IUPAC Name(1Z,2E)-2-(benzoylhydrazinylidene)-N-(4-sulfamoylphenyl)propanehydrazonoyl chloride
SMILESCC(=N\NC(=O)c1ccccc1)/C(Cl)=N/Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H16ClN5O3S/c1-11(19-22-16(23)12-5-3-2-4-6-12)15(17)21-20-13-7-9-14(10-8-13)26(18,24)25/h2-10,20H,1H3,(H,22,23)(H2,18,24,25)/b19-11+,21-15-
InChIKeyOCDRLANHZMQOFJ-JUYTWUFESA-N
XLogP2.10
TPSA126.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.86
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 (1Z,2E)-2-(benzoylhydrazinylidene)-N-(4-sulfamoylphenyl)propanehydrazonoyl chloride?
The IUPAC name of (1Z,2E)-2-(benzoylhydrazinylidene)-N-(4-sulfamoylphenyl)propanehydrazonoyl chloride (CID 73056157) is (1Z,2E)-2-(benzoylhydrazinylidene)-N-(4-sulfamoylphenyl)propanehydrazonoyl chloride.
What is the SMILES notation for (1Z,2E)-2-(benzoylhydrazinylidene)-N-(4-sulfamoylphenyl)propanehydrazonoyl chloride?
The canonical SMILES for (1Z,2E)-2-(benzoylhydrazinylidene)-N-(4-sulfamoylphenyl)propanehydrazonoyl chloride is CC(=N\NC(=O)c1ccccc1)/C(Cl)=N/Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of (1Z,2E)-2-(benzoylhydrazinylidene)-N-(4-sulfamoylphenyl)propanehydrazonoyl chloride?
The InChIKey is OCDRLANHZMQOFJ-JUYTWUFESA-N. The full InChI is InChI=1S/C16H16ClN5O3S/c1-11(19-22-16(23)12-5-3-2-4-6-12)15(17)21-20-13-7-9-14(10-8-13)26(18,24)25/h2-10,20H,1H3,(H,22,23)(H2,18,24,25)/b19-11+,21-15-.
What are the key properties of (1Z,2E)-2-(benzoylhydrazinylidene)-N-(4-sulfamoylphenyl)propanehydrazonoyl chloride?
(1Z,2E)-2-(benzoylhydrazinylidene)-N-(4-sulfamoylphenyl)propanehydrazonoyl chloride has a molecular weight of 393.86 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,2E)-2-(benzoylhydrazinylidene)-N-(4-sulfamoylphenyl)propanehydrazonoyl chloride is sourced from PubChem (CID 73056157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).