4-amino-N-(2,6-difluorophenyl)-3-fluorobenzenesulfonamide

C12H9F3N2O2S — CID 82843706

IUPAC4-amino-N-(2,6-difluorophenyl)-3-fluorobenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1F
InChIInChI=1S/C12H9F3N2O2S/c13-8-2-1-3-9(14)12(8)17-20(18,19)7-4-5-11(16)10(15)6-7/h1-6,17H,16H2
InChIKeyGHALUBWTLRGOPG-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.49
Rot. Bonds3

About 4-amino-N-(2,6-difluorophenyl)-3-fluorobenzenesulfonamide

4-amino-N-(2,6-difluorophenyl)-3-fluorobenzenesulfonamide (PubChem CID 82843706) has the molecular formula C12H9F3N2O2S and a molecular weight of 302.28 g/mol. Its IUPAC name is 4-amino-N-(2,6-difluorophenyl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2,6-difluorophenyl)-3-fluorobenzenesulfonamide
PubChem CID82843706
Molecular FormulaC12H9F3N2O2S
Molecular Weight302.28 g/mol
Exact Mass302.03
IUPAC Name4-amino-N-(2,6-difluorophenyl)-3-fluorobenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1F
InChIInChI=1S/C12H9F3N2O2S/c13-8-2-1-3-9(14)12(8)17-20(18,19)7-4-5-11(16)10(15)6-7/h1-6,17H,16H2
InChIKeyGHALUBWTLRGOPG-UHFFFAOYSA-N
XLogP2.49
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.49
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

N-(2,6-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8500850
4-amino-3-fluoro-N-(3-fluoro-2-methylphenyl)benzenesulfonamide
CID 82843952
4-amino-N-(2-cyano-3-fluorophenyl)-3-fluorobenzenesulfonamide
CID 82845262
4-amino-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 82843846
N-(2-amino-6-fluorophenyl)-4-chlorobenzenesulfonamide
CID 81311013
N-(2-amino-6-fluorophenyl)-3-bromobenzenesulfonamide
CID 81310122
4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzenesulfonamide
CID 82844313
4-amino-3-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 82843777
4-bromo-N-(2-bromo-6-fluorophenyl)-3-fluorobenzenesulfonamide
CID 103822956
3-amino-4-(benzylamino)-N-(2,6-difluorophenyl)benzenesulfonamide
CID 123971129
4-amino-N-(3-ethynylphenyl)-3-fluorobenzenesulfonamide
CID 82844472
4-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 82845290

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,6-difluorophenyl)-3-fluorobenzenesulfonamide?
The IUPAC name of 4-amino-N-(2,6-difluorophenyl)-3-fluorobenzenesulfonamide (CID 82843706) is 4-amino-N-(2,6-difluorophenyl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2,6-difluorophenyl)-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-amino-N-(2,6-difluorophenyl)-3-fluorobenzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1F.
What is the InChIKey of 4-amino-N-(2,6-difluorophenyl)-3-fluorobenzenesulfonamide?
The InChIKey is GHALUBWTLRGOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2S/c13-8-2-1-3-9(14)12(8)17-20(18,19)7-4-5-11(16)10(15)6-7/h1-6,17H,16H2.
What are the key properties of 4-amino-N-(2,6-difluorophenyl)-3-fluorobenzenesulfonamide?
4-amino-N-(2,6-difluorophenyl)-3-fluorobenzenesulfonamide has a molecular weight of 302.28 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,6-difluorophenyl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 82843706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).