4-amino-N-(2-fluoro-5-methylphenyl)benzenesulfonamide

C13H13FN2O2S — CID 28968050

IUPAC4-amino-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
SMILESCc1ccc(F)c(NS(=O)(=O)c2ccc(N)cc2)c1
InChIInChI=1S/C13H13FN2O2S/c1-9-2-7-12(14)13(8-9)16-19(17,18)11-5-3-10(15)4-6-11/h2-8,16H,15H2,1H3
InChIKeyZLEXBJANYNPYMO-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.52
Rot. Bonds3

About 4-amino-N-(2-fluoro-5-methylphenyl)benzenesulfonamide

4-amino-N-(2-fluoro-5-methylphenyl)benzenesulfonamide (PubChem CID 28968050) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-amino-N-(2-fluoro-5-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
PubChem CID28968050
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC Name4-amino-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
SMILESCc1ccc(F)c(NS(=O)(=O)c2ccc(N)cc2)c1
InChIInChI=1S/C13H13FN2O2S/c1-9-2-7-12(14)13(8-9)16-19(17,18)11-5-3-10(15)4-6-11/h2-8,16H,15H2,1H3
InChIKeyZLEXBJANYNPYMO-UHFFFAOYSA-N
XLogP2.52
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.52
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

4-amino-N-(2,5-difluorophenyl)benzenesulfonamide
CID 2730891
4-ethyl-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 7516558
3-amino-4-bromo-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 115328714
2-amino-N-(2-fluoro-5-methylphenyl)pyrimidine-5-sulfonamide
CID 62143731
N-(5-amino-2-fluorophenyl)-3-methylbenzenesulfonamide
CID 16773976
4-amino-2-bromo-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 43256663
4-[(2S)-butan-2-yl]-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 8523559
N-(5-amino-2-fluorophenyl)-4-ethylbenzenesulfonamide
CID 43604941
4-amino-N-(2-fluoro-5-methylphenyl)thiophene-2-sulfonamide
CID 61300923
[4-fluoro-3-[(4-methylphenyl)sulfonylamino]phenyl]-methyl-oxoazanium
CID 159028628
N-(2-fluoro-5-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 61327363
N-(2-amino-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 43259163

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-fluoro-5-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(2-fluoro-5-methylphenyl)benzenesulfonamide (CID 28968050) is 4-amino-N-(2-fluoro-5-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2-fluoro-5-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(2-fluoro-5-methylphenyl)benzenesulfonamide is Cc1ccc(F)c(NS(=O)(=O)c2ccc(N)cc2)c1.
What is the InChIKey of 4-amino-N-(2-fluoro-5-methylphenyl)benzenesulfonamide?
The InChIKey is ZLEXBJANYNPYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c1-9-2-7-12(14)13(8-9)16-19(17,18)11-5-3-10(15)4-6-11/h2-8,16H,15H2,1H3.
What are the key properties of 4-amino-N-(2-fluoro-5-methylphenyl)benzenesulfonamide?
4-amino-N-(2-fluoro-5-methylphenyl)benzenesulfonamide has a molecular weight of 280.32 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-fluoro-5-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 28968050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).