4-amino-3-fluoro-N-(3-fluoro-2-methylphenyl)benzenesulfonamide

C13H12F2N2O2S — CID 82843952

IUPAC4-amino-3-fluoro-N-(3-fluoro-2-methylphenyl)benzenesulfonamide
SMILESCc1c(F)cccc1NS(=O)(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C13H12F2N2O2S/c1-8-10(14)3-2-4-13(8)17-20(18,19)9-5-6-12(16)11(15)7-9/h2-7,17H,16H2,1H3
InChIKeyWWFMXFPRZIIKCB-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.66
Rot. Bonds3

About 4-amino-3-fluoro-N-(3-fluoro-2-methylphenyl)benzenesulfonamide

4-amino-3-fluoro-N-(3-fluoro-2-methylphenyl)benzenesulfonamide (PubChem CID 82843952) has the molecular formula C13H12F2N2O2S and a molecular weight of 298.31 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-(3-fluoro-2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-(3-fluoro-2-methylphenyl)benzenesulfonamide
PubChem CID82843952
Molecular FormulaC13H12F2N2O2S
Molecular Weight298.31 g/mol
Exact Mass298.06
IUPAC Name4-amino-3-fluoro-N-(3-fluoro-2-methylphenyl)benzenesulfonamide
SMILESCc1c(F)cccc1NS(=O)(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C13H12F2N2O2S/c1-8-10(14)3-2-4-13(8)17-20(18,19)9-5-6-12(16)11(15)7-9/h2-7,17H,16H2,1H3
InChIKeyWWFMXFPRZIIKCB-UHFFFAOYSA-N
XLogP2.66
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.66
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

3-amino-4-bromo-N-(3-fluoro-2-methylphenyl)benzenesulfonamide
CID 115329158
4-amino-N-(2,6-difluorophenyl)-3-fluorobenzenesulfonamide
CID 82843706
4-amino-N-(2-cyano-3-fluorophenyl)-3-fluorobenzenesulfonamide
CID 82845262
4-amino-3-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 82843777
4-amino-N-(4-bromo-2-methylphenyl)-3-fluorobenzenesulfonamide
CID 82844080
2-amino-N-(3-fluoro-2-methylphenyl)-3,6-dimethylbenzenesulfonamide
CID 103171388
5-amino-2-fluoro-N-(3-fluoro-2-methylphenyl)-3-methylbenzenesulfonamide
CID 80629184
3-amino-N-(2-fluorophenyl)-4,5-dimethylbenzenesulfonamide
CID 28536061
3-amino-4-ethyl-N-(2-fluorophenyl)benzenesulfonamide
CID 43257631
3-amino-N-(2,3-difluorophenyl)-4-hydroxybenzenesulfonamide
CID 61076963
4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-fluorobenzenesulfonamide
CID 82844498
4-amino-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 82843846

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-(3-fluoro-2-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-amino-3-fluoro-N-(3-fluoro-2-methylphenyl)benzenesulfonamide (CID 82843952) is 4-amino-3-fluoro-N-(3-fluoro-2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-fluoro-N-(3-fluoro-2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-fluoro-N-(3-fluoro-2-methylphenyl)benzenesulfonamide is Cc1c(F)cccc1NS(=O)(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 4-amino-3-fluoro-N-(3-fluoro-2-methylphenyl)benzenesulfonamide?
The InChIKey is WWFMXFPRZIIKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2S/c1-8-10(14)3-2-4-13(8)17-20(18,19)9-5-6-12(16)11(15)7-9/h2-7,17H,16H2,1H3.
What are the key properties of 4-amino-3-fluoro-N-(3-fluoro-2-methylphenyl)benzenesulfonamide?
4-amino-3-fluoro-N-(3-fluoro-2-methylphenyl)benzenesulfonamide has a molecular weight of 298.31 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-N-(3-fluoro-2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 82843952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).