N-prop-2-enylbenzenesulfonohydrazide

C9H12N2O2S — CID 67638701

IUPACN-prop-2-enylbenzenesulfonohydrazide
SMILESC=CCN(N)S(=O)(=O)c1ccccc1
InChIInChI=1S/C9H12N2O2S/c1-2-8-11(10)14(12,13)9-6-4-3-5-7-9/h2-7H,1,8,10H2
InChIKeyYVFYQWQTWHWYHK-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.74
Rot. Bonds4

About N-prop-2-enylbenzenesulfonohydrazide

N-prop-2-enylbenzenesulfonohydrazide (PubChem CID 67638701) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is N-prop-2-enylbenzenesulfonohydrazide.

Molecular Properties

Compound NameN-prop-2-enylbenzenesulfonohydrazide
PubChem CID67638701
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC NameN-prop-2-enylbenzenesulfonohydrazide
SMILESC=CCN(N)S(=O)(=O)c1ccccc1
InChIInChI=1S/C9H12N2O2S/c1-2-8-11(10)14(12,13)9-6-4-3-5-7-9/h2-7H,1,8,10H2
InChIKeyYVFYQWQTWHWYHK-UHFFFAOYSA-N
XLogP0.74
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-Butylbenzenesulfonamide
CID 19241
Benzenesulfonyl hydrazide
CID 65723
N,N-Diethylbenzenesulfonamide
CID 74367
N-Ethylbenzenesulfonamide
CID 79279
N-(2-aminoethyl)benzenesulfonamide
CID 12841745
n-Allylbenzenesulfonamide
CID 257467
N-propylbenzenesulfonamide
CID 2165127
N'-(benzenesulfonyl)-N'-methylbenzenesulfonohydrazide
CID 13419598
Methylbenze nesulfonylhydrazine
CID 13663334
N-methyl-N'-methylsulfonylbenzenesulfonohydrazide
CID 44330501
N'-(propan-2-ylidene)benzenesulfonohydrazide
CID 280407
2-fluoro-N-(prop-2-en-1-yl)benzene-1-sulfonamide
CID 2398398

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enylbenzenesulfonohydrazide?
The IUPAC name of N-prop-2-enylbenzenesulfonohydrazide (CID 67638701) is N-prop-2-enylbenzenesulfonohydrazide.
What is the SMILES notation for N-prop-2-enylbenzenesulfonohydrazide?
The canonical SMILES for N-prop-2-enylbenzenesulfonohydrazide is C=CCN(N)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-prop-2-enylbenzenesulfonohydrazide?
The InChIKey is YVFYQWQTWHWYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-2-8-11(10)14(12,13)9-6-4-3-5-7-9/h2-7H,1,8,10H2.
What are the key properties of N-prop-2-enylbenzenesulfonohydrazide?
N-prop-2-enylbenzenesulfonohydrazide has a molecular weight of 212.27 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylbenzenesulfonohydrazide is sourced from PubChem (CID 67638701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).