4-butylbenzenesulfonohydrazide

C10H16N2O2S — CID 17255521

IUPAC4-butylbenzenesulfonohydrazide
SMILESCCCCc1ccc(S(=O)(=O)NN)cc1
InChIInChI=1S/C10H16N2O2S/c1-2-3-4-9-5-7-10(8-6-9)15(13,14)12-11/h5-8,12H,2-4,11H2,1H3
InChIKeyZQWNHBPMUKEOFM-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.18
Rot. Bonds5

About 4-butylbenzenesulfonohydrazide

4-butylbenzenesulfonohydrazide (PubChem CID 17255521) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-butylbenzenesulfonohydrazide.

Molecular Properties

Compound Name4-butylbenzenesulfonohydrazide
PubChem CID17255521
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name4-butylbenzenesulfonohydrazide
SMILESCCCCc1ccc(S(=O)(=O)NN)cc1
InChIInChI=1S/C10H16N2O2S/c1-2-3-4-9-5-7-10(8-6-9)15(13,14)12-11/h5-8,12H,2-4,11H2,1H3
InChIKeyZQWNHBPMUKEOFM-UHFFFAOYSA-N
XLogP1.18
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.18
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-[[4-(hydrazinesulfonyl)phenyl]methyl]benzenesulfonohydrazide
CID 14048861
4-(3-aminopropyl)-N-butylbenzenesulfonamide
CID 28807103
4-butyl-N-prop-2-enylbenzenesulfonamide
CID 6470991
diethyl 2-[(4-butylphenyl)sulfonylamino]propanedioate
CID 5007632
4-butyl-N-diphenylphosphanylbenzenesulfonamide
CID 58097783
4-butyl-N-(2-butylphenyl)benzenesulfonamide
CID 22774370
4-butyl-N-diethylphosphanylbenzenesulfonamide;N-diethylphosphanylbenzenesulfonamide
CID 145301695
4-butyl-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 19681719
4-nonylbenzenesulfonamide
CID 19845394
4-hexyl-N-(2-hydroxypropyl)benzenesulfonamide
CID 84558138
N-[4-[(4-butylphenyl)sulfonylamino]phenyl]acetamide
CID 22774827
N-iodo-4-propylbenzenesulfonamide
CID 143564822

Frequently Asked Questions

What is the IUPAC name of 4-butylbenzenesulfonohydrazide?
The IUPAC name of 4-butylbenzenesulfonohydrazide (CID 17255521) is 4-butylbenzenesulfonohydrazide.
What is the SMILES notation for 4-butylbenzenesulfonohydrazide?
The canonical SMILES for 4-butylbenzenesulfonohydrazide is CCCCc1ccc(S(=O)(=O)NN)cc1.
What is the InChIKey of 4-butylbenzenesulfonohydrazide?
The InChIKey is ZQWNHBPMUKEOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-2-3-4-9-5-7-10(8-6-9)15(13,14)12-11/h5-8,12H,2-4,11H2,1H3.
What are the key properties of 4-butylbenzenesulfonohydrazide?
4-butylbenzenesulfonohydrazide has a molecular weight of 228.32 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylbenzenesulfonohydrazide is sourced from PubChem (CID 17255521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).