2-(4-methylphenyl)sulfonylbenzohydrazide;molecular nitrogen

C14H14N4O3S — CID 86749256

IUPAC2-(4-methylphenyl)sulfonylbenzohydrazide;molecular nitrogen
SMILESCc1ccc(S(=O)(=O)c2ccccc2C(=O)NN)cc1.N#N
InChIInChI=1S/C14H14N2O3S.N2/c1-10-6-8-11(9-7-10)20(18,19)13-5-3-2-4-12(13)14(17)16-15;1-2/h2-9H,15H2,1H3,(H,16,17);
InChIKeySTDHKFAFFGTVSP-UHFFFAOYSA-N
MW318.36 g/mol
LogP1.46
Rot. Bonds3

About 2-(4-methylphenyl)sulfonylbenzohydrazide;molecular nitrogen

2-(4-methylphenyl)sulfonylbenzohydrazide;molecular nitrogen (PubChem CID 86749256) has the molecular formula C14H14N4O3S and a molecular weight of 318.36 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonylbenzohydrazide;molecular nitrogen.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonylbenzohydrazide;molecular nitrogen
PubChem CID86749256
Molecular FormulaC14H14N4O3S
Molecular Weight318.36 g/mol
Exact Mass318.08
IUPAC Name2-(4-methylphenyl)sulfonylbenzohydrazide;molecular nitrogen
SMILESCc1ccc(S(=O)(=O)c2ccccc2C(=O)NN)cc1.N#N
InChIInChI=1S/C14H14N2O3S.N2/c1-10-6-8-11(9-7-10)20(18,19)13-5-3-2-4-12(13)14(17)16-15;1-2/h2-9H,15H2,1H3,(H,16,17);
InChIKeySTDHKFAFFGTVSP-UHFFFAOYSA-N
XLogP1.46
TPSA136.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Azo_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 2-(4-methylphenyl)sulfonylbenzohydrazide;molecular nitrogen?
The IUPAC name of 2-(4-methylphenyl)sulfonylbenzohydrazide;molecular nitrogen (CID 86749256) is 2-(4-methylphenyl)sulfonylbenzohydrazide;molecular nitrogen.
What is the SMILES notation for 2-(4-methylphenyl)sulfonylbenzohydrazide;molecular nitrogen?
The canonical SMILES for 2-(4-methylphenyl)sulfonylbenzohydrazide;molecular nitrogen is Cc1ccc(S(=O)(=O)c2ccccc2C(=O)NN)cc1.N#N.
What is the InChIKey of 2-(4-methylphenyl)sulfonylbenzohydrazide;molecular nitrogen?
The InChIKey is STDHKFAFFGTVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S.N2/c1-10-6-8-11(9-7-10)20(18,19)13-5-3-2-4-12(13)14(17)16-15;1-2/h2-9H,15H2,1H3,(H,16,17);.
What are the key properties of 2-(4-methylphenyl)sulfonylbenzohydrazide;molecular nitrogen?
2-(4-methylphenyl)sulfonylbenzohydrazide;molecular nitrogen has a molecular weight of 318.36 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfonylbenzohydrazide;molecular nitrogen is sourced from PubChem (CID 86749256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).