4-propan-2-ylbenzenesulfonohydrazide

C9H14N2O2S — CID 17372434

IUPAC4-propan-2-ylbenzenesulfonohydrazide
SMILESCC(C)c1ccc(S(=O)(=O)NN)cc1
InChIInChI=1S/C9H14N2O2S/c1-7(2)8-3-5-9(6-4-8)14(12,13)11-10/h3-7,11H,10H2,1-2H3
InChIKeyQGSCQEKKWZLTLR-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.96
Rot. Bonds3

About 4-propan-2-ylbenzenesulfonohydrazide

4-propan-2-ylbenzenesulfonohydrazide (PubChem CID 17372434) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 4-propan-2-ylbenzenesulfonohydrazide.

Molecular Properties

Compound Name4-propan-2-ylbenzenesulfonohydrazide
PubChem CID17372434
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name4-propan-2-ylbenzenesulfonohydrazide
SMILESCC(C)c1ccc(S(=O)(=O)NN)cc1
InChIInChI=1S/C9H14N2O2S/c1-7(2)8-3-5-9(6-4-8)14(12,13)11-10/h3-7,11H,10H2,1-2H3
InChIKeyQGSCQEKKWZLTLR-UHFFFAOYSA-N
XLogP0.96
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.96
H-Bond Donors ≤ 52
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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Related Compounds

4-methylbenzenesulfonohydrazide
CID 15303
potassium 4-propan-2-ylbenzenesulfonamide
CID 19095755
N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119988328
N-(3-hydroxybutyl)-4-propan-2-ylbenzenesulfonamide
CID 64913123
4-propan-2-yl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide
CID 22711635
sodium 4-(hydrazinesulfonyl)phenolate
CID 143649981
N-cyclopentyl-4-propan-2-ylbenzenesulfonamide
CID 6469335
2-(4-propan-2-ylphenyl)sulfonylpropanehydrazide
CID 75466428
4-[[4-(hydrazinesulfonyl)phenyl]methyl]benzenesulfonohydrazide
CID 14048861
N-[methylidene-oxo-(4-propan-2-ylphenyl)-λ6-sulfanyl]methanamine
CID 158559375
4-propan-2-yl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 71079087
4-(5-iodo-5-methylhexan-3-yl)benzenesulfonohydrazide
CID 178130222

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylbenzenesulfonohydrazide?
The IUPAC name of 4-propan-2-ylbenzenesulfonohydrazide (CID 17372434) is 4-propan-2-ylbenzenesulfonohydrazide.
What is the SMILES notation for 4-propan-2-ylbenzenesulfonohydrazide?
The canonical SMILES for 4-propan-2-ylbenzenesulfonohydrazide is CC(C)c1ccc(S(=O)(=O)NN)cc1.
What is the InChIKey of 4-propan-2-ylbenzenesulfonohydrazide?
The InChIKey is QGSCQEKKWZLTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-7(2)8-3-5-9(6-4-8)14(12,13)11-10/h3-7,11H,10H2,1-2H3.
What are the key properties of 4-propan-2-ylbenzenesulfonohydrazide?
4-propan-2-ylbenzenesulfonohydrazide has a molecular weight of 214.29 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylbenzenesulfonohydrazide is sourced from PubChem (CID 17372434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).