N',N',4-trimethylbenzenesulfonohydrazide

C9H14N2O2S — CID 840007

IUPACN',N',4-trimethylbenzenesulfonohydrazide
SMILESCc1ccc(S(=O)(=O)NN(C)C)cc1
InChIInChI=1S/C9H14N2O2S/c1-8-4-6-9(7-5-8)14(12,13)10-11(2)3/h4-7,10H,1-3H3
InChIKeyZGKOFNKFGIVSDI-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.75
Rot. Bonds3

About N',N',4-trimethylbenzenesulfonohydrazide

N',N',4-trimethylbenzenesulfonohydrazide (PubChem CID 840007) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is N',N',4-trimethylbenzenesulfonohydrazide.

Molecular Properties

Compound NameN',N',4-trimethylbenzenesulfonohydrazide
PubChem CID840007
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC NameN',N',4-trimethylbenzenesulfonohydrazide
SMILESCc1ccc(S(=O)(=O)NN(C)C)cc1
InChIInChI=1S/C9H14N2O2S/c1-8-4-6-9(7-5-8)14(12,13)10-11(2)3/h4-7,10H,1-3H3
InChIKeyZGKOFNKFGIVSDI-UHFFFAOYSA-N
XLogP0.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',N',4-trimethylbenzenesulfonohydrazide?
The IUPAC name of N',N',4-trimethylbenzenesulfonohydrazide (CID 840007) is N',N',4-trimethylbenzenesulfonohydrazide.
What is the SMILES notation for N',N',4-trimethylbenzenesulfonohydrazide?
The canonical SMILES for N',N',4-trimethylbenzenesulfonohydrazide is Cc1ccc(S(=O)(=O)NN(C)C)cc1.
What is the InChIKey of N',N',4-trimethylbenzenesulfonohydrazide?
The InChIKey is ZGKOFNKFGIVSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-8-4-6-9(7-5-8)14(12,13)10-11(2)3/h4-7,10H,1-3H3.
What are the key properties of N',N',4-trimethylbenzenesulfonohydrazide?
N',N',4-trimethylbenzenesulfonohydrazide has a molecular weight of 214.29 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N',4-trimethylbenzenesulfonohydrazide is sourced from PubChem (CID 840007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).