2-amino-N-(2,6-dimethylphenyl)-4-fluorobenzenesulfonamide

C14H15FN2O2S — CID 30049967

IUPAC2-amino-N-(2,6-dimethylphenyl)-4-fluorobenzenesulfonamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C14H15FN2O2S/c1-9-4-3-5-10(2)14(9)17-20(18,19)13-7-6-11(15)8-12(13)16/h3-8,17H,16H2,1-2H3
InChIKeyGJIGRDVNALFOKY-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.83
Rot. Bonds3

About 2-amino-N-(2,6-dimethylphenyl)-4-fluorobenzenesulfonamide

2-amino-N-(2,6-dimethylphenyl)-4-fluorobenzenesulfonamide (PubChem CID 30049967) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-amino-N-(2,6-dimethylphenyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2,6-dimethylphenyl)-4-fluorobenzenesulfonamide
PubChem CID30049967
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name2-amino-N-(2,6-dimethylphenyl)-4-fluorobenzenesulfonamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C14H15FN2O2S/c1-9-4-3-5-10(2)14(9)17-20(18,19)13-7-6-11(15)8-12(13)16/h3-8,17H,16H2,1-2H3
InChIKeyGJIGRDVNALFOKY-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

2-amino-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 29053554
2-amino-N-(4-bromo-3,5-dimethylphenyl)-4-fluorobenzenesulfonamide
CID 107571257
2-amino-4-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 29298856
N-(2-amino-6-chlorophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 62086054
2-amino-4-fluoro-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 28514319
2-amino-4-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 116812633
2-amino-4-fluoro-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 62809639
2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzenesulfonamide
CID 60986095
3-[(2-amino-4-fluorophenyl)sulfonylamino]benzamide
CID 61105800
5-amino-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide
CID 29043173
N-(2-amino-6-methylphenyl)-2-fluorobenzenesulfonamide
CID 43330093
2-amino-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 28548844

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,6-dimethylphenyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-N-(2,6-dimethylphenyl)-4-fluorobenzenesulfonamide (CID 30049967) is 2-amino-N-(2,6-dimethylphenyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2,6-dimethylphenyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-N-(2,6-dimethylphenyl)-4-fluorobenzenesulfonamide is Cc1cccc(C)c1NS(=O)(=O)c1ccc(F)cc1N.
What is the InChIKey of 2-amino-N-(2,6-dimethylphenyl)-4-fluorobenzenesulfonamide?
The InChIKey is GJIGRDVNALFOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-9-4-3-5-10(2)14(9)17-20(18,19)13-7-6-11(15)8-12(13)16/h3-8,17H,16H2,1-2H3.
What are the key properties of 2-amino-N-(2,6-dimethylphenyl)-4-fluorobenzenesulfonamide?
2-amino-N-(2,6-dimethylphenyl)-4-fluorobenzenesulfonamide 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 2-amino-N-(2,6-dimethylphenyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 30049967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).