3-amino-4-fluoro-2,6-dimethyl-N-prop-2-enylbenzenesulfonamide

C11H15FN2O2S — CID 107325687

IUPAC3-amino-4-fluoro-2,6-dimethyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1c(C)cc(F)c(N)c1C
InChIInChI=1S/C11H15FN2O2S/c1-4-5-14-17(15,16)11-7(2)6-9(12)10(13)8(11)3/h4,6,14H,1,5,13H2,2-3H3
InChIKeySKEYWWBHKHINHG-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.49
Rot. Bonds4

About 3-amino-4-fluoro-2,6-dimethyl-N-prop-2-enylbenzenesulfonamide

3-amino-4-fluoro-2,6-dimethyl-N-prop-2-enylbenzenesulfonamide (PubChem CID 107325687) has the molecular formula C11H15FN2O2S and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-amino-4-fluoro-2,6-dimethyl-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-fluoro-2,6-dimethyl-N-prop-2-enylbenzenesulfonamide
PubChem CID107325687
Molecular FormulaC11H15FN2O2S
Molecular Weight258.32 g/mol
Exact Mass258.08
IUPAC Name3-amino-4-fluoro-2,6-dimethyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1c(C)cc(F)c(N)c1C
InChIInChI=1S/C11H15FN2O2S/c1-4-5-14-17(15,16)11-7(2)6-9(12)10(13)8(11)3/h4,6,14H,1,5,13H2,2-3H3
InChIKeySKEYWWBHKHINHG-UHFFFAOYSA-N
XLogP1.49
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2,4,6-trimethyl-N-prop-2-enylbenzenesulfonamide
CID 113469282
3-amino-4-fluoro-N-[(2R)-2-hydroxypropyl]-2,6-dimethylbenzenesulfonamide
CID 107326349
ethyl 2-[(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetate
CID 107325674
3-amino-4-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)-2,6-dimethylbenzenesulfonamide
CID 106139845
2-[(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 107325645
5-amino-2,4-difluoro-N-prop-2-enylbenzenesulfonamide
CID 61112133
3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107325826
3-amino-4-fluoro-2,6-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 107325827
3-amino-4-fluoro-2,6-dimethyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 107325755
3-amino-4-fluoro-2,6-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 107325579
3-amino-4-fluoro-2,6-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 107325821
3-amino-4-fluoro-2,6-dimethyl-N-pentan-2-ylbenzenesulfonamide
CID 107325562

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-2,6-dimethyl-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 3-amino-4-fluoro-2,6-dimethyl-N-prop-2-enylbenzenesulfonamide (CID 107325687) is 3-amino-4-fluoro-2,6-dimethyl-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-fluoro-2,6-dimethyl-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-fluoro-2,6-dimethyl-N-prop-2-enylbenzenesulfonamide is C=CCNS(=O)(=O)c1c(C)cc(F)c(N)c1C.
What is the InChIKey of 3-amino-4-fluoro-2,6-dimethyl-N-prop-2-enylbenzenesulfonamide?
The InChIKey is SKEYWWBHKHINHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2S/c1-4-5-14-17(15,16)11-7(2)6-9(12)10(13)8(11)3/h4,6,14H,1,5,13H2,2-3H3.
What are the key properties of 3-amino-4-fluoro-2,6-dimethyl-N-prop-2-enylbenzenesulfonamide?
3-amino-4-fluoro-2,6-dimethyl-N-prop-2-enylbenzenesulfonamide has a molecular weight of 258.32 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-2,6-dimethyl-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 107325687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).