4-amino-2-fluoro-N',N'-dimethylbenzenesulfonohydrazide

C8H12FN3O2S — CID 83012823

IUPAC4-amino-2-fluoro-N',N'-dimethylbenzenesulfonohydrazide
SMILESCN(C)NS(=O)(=O)c1ccc(N)cc1F
InChIInChI=1S/C8H12FN3O2S/c1-12(2)11-15(13,14)8-4-3-6(10)5-7(8)9/h3-5,11H,10H2,1-2H3
InChIKeyJWSWZRVBZMHQEI-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.16
Rot. Bonds3

About 4-amino-2-fluoro-N',N'-dimethylbenzenesulfonohydrazide

4-amino-2-fluoro-N',N'-dimethylbenzenesulfonohydrazide (PubChem CID 83012823) has the molecular formula C8H12FN3O2S and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-amino-2-fluoro-N',N'-dimethylbenzenesulfonohydrazide.

Molecular Properties

Compound Name4-amino-2-fluoro-N',N'-dimethylbenzenesulfonohydrazide
PubChem CID83012823
Molecular FormulaC8H12FN3O2S
Molecular Weight233.27 g/mol
Exact Mass233.06
IUPAC Name4-amino-2-fluoro-N',N'-dimethylbenzenesulfonohydrazide
SMILESCN(C)NS(=O)(=O)c1ccc(N)cc1F
InChIInChI=1S/C8H12FN3O2S/c1-12(2)11-15(13,14)8-4-3-6(10)5-7(8)9/h3-5,11H,10H2,1-2H3
InChIKeyJWSWZRVBZMHQEI-UHFFFAOYSA-N
XLogP0.16
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-bromo-N',N'-dimethylbenzenesulfonohydrazide
CID 83013292
4-amino-2-chloro-N',N'-dimethylbenzenesulfonohydrazide
CID 83012665
4-amino-2-fluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79352947
4-amino-2-fluorobenzenesulfonyl fluoride
CID 122164176
4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluorobenzenesulfonamide
CID 62976254
4-amino-2-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 22411411
4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide
CID 114386828
4-amino-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102903343
4-amino-N-(3,5-dimethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 64732843
4-amino-2-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63667957
4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-fluorobenzenesulfonamide
CID 65485842
4-amino-2-fluoro-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 55201311

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-fluoro-N',N'-dimethylbenzenesulfonohydrazide?
The IUPAC name of 4-amino-2-fluoro-N',N'-dimethylbenzenesulfonohydrazide (CID 83012823) is 4-amino-2-fluoro-N',N'-dimethylbenzenesulfonohydrazide.
What is the SMILES notation for 4-amino-2-fluoro-N',N'-dimethylbenzenesulfonohydrazide?
The canonical SMILES for 4-amino-2-fluoro-N',N'-dimethylbenzenesulfonohydrazide is CN(C)NS(=O)(=O)c1ccc(N)cc1F.
What is the InChIKey of 4-amino-2-fluoro-N',N'-dimethylbenzenesulfonohydrazide?
The InChIKey is JWSWZRVBZMHQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O2S/c1-12(2)11-15(13,14)8-4-3-6(10)5-7(8)9/h3-5,11H,10H2,1-2H3.
What are the key properties of 4-amino-2-fluoro-N',N'-dimethylbenzenesulfonohydrazide?
4-amino-2-fluoro-N',N'-dimethylbenzenesulfonohydrazide has a molecular weight of 233.27 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-fluoro-N',N'-dimethylbenzenesulfonohydrazide is sourced from PubChem (CID 83012823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).