4-methyl-N-(2-methylpropyl)benzenesulfonohydrazide

C11H18N2O2S — CID 174431578

IUPAC4-methyl-N-(2-methylpropyl)benzenesulfonohydrazide
SMILESCc1ccc(S(=O)(=O)N(N)CC(C)C)cc1
InChIInChI=1S/C11H18N2O2S/c1-9(2)8-13(12)16(14,15)11-6-4-10(3)5-7-11/h4-7,9H,8,12H2,1-3H3
InChIKeyGPXVOUCIKFQIKR-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.52
Rot. Bonds4

About 4-methyl-N-(2-methylpropyl)benzenesulfonohydrazide

4-methyl-N-(2-methylpropyl)benzenesulfonohydrazide (PubChem CID 174431578) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 4-methyl-N-(2-methylpropyl)benzenesulfonohydrazide.

Molecular Properties

Compound Name4-methyl-N-(2-methylpropyl)benzenesulfonohydrazide
PubChem CID174431578
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name4-methyl-N-(2-methylpropyl)benzenesulfonohydrazide
SMILESCc1ccc(S(=O)(=O)N(N)CC(C)C)cc1
InChIInChI=1S/C11H18N2O2S/c1-9(2)8-13(12)16(14,15)11-6-4-10(3)5-7-11/h4-7,9H,8,12H2,1-3H3
InChIKeyGPXVOUCIKFQIKR-UHFFFAOYSA-N
XLogP1.52
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methyl-N-(2-methylpropyl)benzenesulfonohydrazide?
The IUPAC name of 4-methyl-N-(2-methylpropyl)benzenesulfonohydrazide (CID 174431578) is 4-methyl-N-(2-methylpropyl)benzenesulfonohydrazide.
What is the SMILES notation for 4-methyl-N-(2-methylpropyl)benzenesulfonohydrazide?
The canonical SMILES for 4-methyl-N-(2-methylpropyl)benzenesulfonohydrazide is Cc1ccc(S(=O)(=O)N(N)CC(C)C)cc1.
What is the InChIKey of 4-methyl-N-(2-methylpropyl)benzenesulfonohydrazide?
The InChIKey is GPXVOUCIKFQIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-9(2)8-13(12)16(14,15)11-6-4-10(3)5-7-11/h4-7,9H,8,12H2,1-3H3.
What are the key properties of 4-methyl-N-(2-methylpropyl)benzenesulfonohydrazide?
4-methyl-N-(2-methylpropyl)benzenesulfonohydrazide has a molecular weight of 242.34 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylpropyl)benzenesulfonohydrazide is sourced from PubChem (CID 174431578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).