4-amino-N-(3-fluorophenyl)-2,6-dimethylbenzenesulfonamide

C14H15FN2O2S — CID 79589093

IUPAC4-amino-N-(3-fluorophenyl)-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(N)cc(C)c1S(=O)(=O)Nc1cccc(F)c1
InChIInChI=1S/C14H15FN2O2S/c1-9-6-12(16)7-10(2)14(9)20(18,19)17-13-5-3-4-11(15)8-13/h3-8,17H,16H2,1-2H3
InChIKeyQDRKXTPNHGBNPM-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.83
Rot. Bonds3

About 4-amino-N-(3-fluorophenyl)-2,6-dimethylbenzenesulfonamide

4-amino-N-(3-fluorophenyl)-2,6-dimethylbenzenesulfonamide (PubChem CID 79589093) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-amino-N-(3-fluorophenyl)-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(3-fluorophenyl)-2,6-dimethylbenzenesulfonamide
PubChem CID79589093
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name4-amino-N-(3-fluorophenyl)-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(N)cc(C)c1S(=O)(=O)Nc1cccc(F)c1
InChIInChI=1S/C14H15FN2O2S/c1-9-6-12(16)7-10(2)14(9)20(18,19)17-13-5-3-4-11(15)8-13/h3-8,17H,16H2,1-2H3
InChIKeyQDRKXTPNHGBNPM-UHFFFAOYSA-N
XLogP2.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.83
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-fluorophenyl)-2,3-dimethylbenzenesulfonamide
CID 29277276
4-amino-2,6-dibromo-N-(3-fluorophenyl)benzenesulfonamide
CID 43257495
4-amino-N-(4-fluoro-3-methylphenyl)-2,6-dimethylbenzenesulfonamide
CID 79569216
5-amino-3-fluoro-N-(3-fluorophenyl)-2-methylbenzenesulfonamide
CID 79896534
4-amino-N-(3-cyanophenyl)-2,6-dimethylbenzenesulfonamide
CID 79556049
4-amino-N-(3,4-dimethylphenyl)-2,6-dimethylbenzenesulfonamide
CID 79557755
4-fluoro-N-(3-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide
CID 107326957
N-(4-amino-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326089
N-(3,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326533
5-amino-2-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 43255416
2-amino-N-(3,5-difluorophenyl)-6-methylbenzenesulfonamide
CID 43452412
4-fluoro-N-[3-(hydroxymethyl)phenyl]-2,6-dimethylbenzenesulfonamide
CID 107326857

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-fluorophenyl)-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 4-amino-N-(3-fluorophenyl)-2,6-dimethylbenzenesulfonamide (CID 79589093) is 4-amino-N-(3-fluorophenyl)-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(3-fluorophenyl)-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-(3-fluorophenyl)-2,6-dimethylbenzenesulfonamide is Cc1cc(N)cc(C)c1S(=O)(=O)Nc1cccc(F)c1.
What is the InChIKey of 4-amino-N-(3-fluorophenyl)-2,6-dimethylbenzenesulfonamide?
The InChIKey is QDRKXTPNHGBNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-9-6-12(16)7-10(2)14(9)20(18,19)17-13-5-3-4-11(15)8-13/h3-8,17H,16H2,1-2H3.
What are the key properties of 4-amino-N-(3-fluorophenyl)-2,6-dimethylbenzenesulfonamide?
4-amino-N-(3-fluorophenyl)-2,6-dimethylbenzenesulfonamide has a molecular weight of 294.35 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-fluorophenyl)-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 79589093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).