5-amino-3-fluoro-N,2-dimethylbenzenesulfonamide

C8H11FN2O2S — CID 79897066

IUPAC5-amino-3-fluoro-N,2-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)cc(F)c1C
InChIInChI=1S/C8H11FN2O2S/c1-5-7(9)3-6(10)4-8(5)14(12,13)11-2/h3-4,11H,10H2,1-2H3
InChIKeyFXIOZRXNBOLJQT-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.62
Rot. Bonds2

About 5-amino-3-fluoro-N,2-dimethylbenzenesulfonamide

5-amino-3-fluoro-N,2-dimethylbenzenesulfonamide (PubChem CID 79897066) has the molecular formula C8H11FN2O2S and a molecular weight of 218.25 g/mol. Its IUPAC name is 5-amino-3-fluoro-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-fluoro-N,2-dimethylbenzenesulfonamide
PubChem CID79897066
Molecular FormulaC8H11FN2O2S
Molecular Weight218.25 g/mol
Exact Mass218.05
IUPAC Name5-amino-3-fluoro-N,2-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)cc(F)c1C
InChIInChI=1S/C8H11FN2O2S/c1-5-7(9)3-6(10)4-8(5)14(12,13)11-2/h3-4,11H,10H2,1-2H3
InChIKeyFXIOZRXNBOLJQT-UHFFFAOYSA-N
XLogP0.62
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(3,5-difluorophenyl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898624
5-amino-3-fluoro-2-methyl-N-propylbenzenesulfonamide
CID 79896105
5-amino-3-fluoro-2-methyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106327934
5-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898902
2-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]-N-methylpropanamide
CID 79896658
5-amino-N-(2,5-dichlorophenyl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898634
5-amino-3-fluoro-N-(1-hydroxypropan-2-yl)-2-methylbenzenesulfonamide
CID 79896720
5-amino-N-cyclooctyl-3-fluoro-2-methylbenzenesulfonamide
CID 79898896
5-amino-3-fluoro-N-(3-fluorophenyl)-2-methylbenzenesulfonamide
CID 79896534
5-amino-N-but-3-ynyl-3-fluoro-2-methylbenzenesulfonamide
CID 79896670
5-amino-N-(4,6-dimethyl-2-pyridinyl)-3-fluoro-2-methylbenzenesulfonamide
CID 114931837
3-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274893

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-fluoro-N,2-dimethylbenzenesulfonamide?
The IUPAC name of 5-amino-3-fluoro-N,2-dimethylbenzenesulfonamide (CID 79897066) is 5-amino-3-fluoro-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-amino-3-fluoro-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for 5-amino-3-fluoro-N,2-dimethylbenzenesulfonamide is CNS(=O)(=O)c1cc(N)cc(F)c1C.
What is the InChIKey of 5-amino-3-fluoro-N,2-dimethylbenzenesulfonamide?
The InChIKey is FXIOZRXNBOLJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O2S/c1-5-7(9)3-6(10)4-8(5)14(12,13)11-2/h3-4,11H,10H2,1-2H3.
What are the key properties of 5-amino-3-fluoro-N,2-dimethylbenzenesulfonamide?
5-amino-3-fluoro-N,2-dimethylbenzenesulfonamide has a molecular weight of 218.25 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-fluoro-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 79897066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).