3-amino-N-(2,5-difluorophenyl)-5-methylbenzenesulfonamide

C13H12F2N2O2S — CID 43256407

IUPAC3-amino-N-(2,5-difluorophenyl)-5-methylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)Nc2cc(F)ccc2F)c1
InChIInChI=1S/C13H12F2N2O2S/c1-8-4-10(16)7-11(5-8)20(18,19)17-13-6-9(14)2-3-12(13)15/h2-7,17H,16H2,1H3
InChIKeyFXEABLATUAMOEW-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.66
Rot. Bonds3

About 3-amino-N-(2,5-difluorophenyl)-5-methylbenzenesulfonamide

3-amino-N-(2,5-difluorophenyl)-5-methylbenzenesulfonamide (PubChem CID 43256407) has the molecular formula C13H12F2N2O2S and a molecular weight of 298.31 g/mol. Its IUPAC name is 3-amino-N-(2,5-difluorophenyl)-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2,5-difluorophenyl)-5-methylbenzenesulfonamide
PubChem CID43256407
Molecular FormulaC13H12F2N2O2S
Molecular Weight298.31 g/mol
Exact Mass298.06
IUPAC Name3-amino-N-(2,5-difluorophenyl)-5-methylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)Nc2cc(F)ccc2F)c1
InChIInChI=1S/C13H12F2N2O2S/c1-8-4-10(16)7-11(5-8)20(18,19)17-13-6-9(14)2-3-12(13)15/h2-7,17H,16H2,1H3
InChIKeyFXEABLATUAMOEW-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

N-(2-amino-5-fluorophenyl)-3,5-dimethylbenzenesulfonamide
CID 63257001
3-amino-N-(2-fluoro-4-methylphenyl)-5-methylbenzenesulfonamide
CID 43256629
4-amino-N-(2,5-difluorophenyl)benzenesulfonamide
CID 2730891
3-amino-N-(4-chloro-2-methylphenyl)-5-methylbenzenesulfonamide
CID 43256506
3-amino-N-(5-chloro-2-methylphenyl)-5-methylbenzenesulfonamide
CID 43256500
3-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-5-methylbenzenesulfonamide
CID 107590901
3-amino-N-(5-bromo-2-fluorophenyl)-5-fluorobenzenesulfonamide
CID 63322305
4-amino-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 28968050
N-(5-amino-2-fluorophenyl)-3-methylbenzenesulfonamide
CID 16773976
3-amino-5-methyl-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 43256385
N-(2-amino-5-fluorophenyl)-3-methylbenzenesulfonamide
CID 63258167
3-amino-N-(2-bromo-4-methylphenyl)-5-methylbenzenesulfonamide
CID 43256314

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,5-difluorophenyl)-5-methylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(2,5-difluorophenyl)-5-methylbenzenesulfonamide (CID 43256407) is 3-amino-N-(2,5-difluorophenyl)-5-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2,5-difluorophenyl)-5-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(2,5-difluorophenyl)-5-methylbenzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)Nc2cc(F)ccc2F)c1.
What is the InChIKey of 3-amino-N-(2,5-difluorophenyl)-5-methylbenzenesulfonamide?
The InChIKey is FXEABLATUAMOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2S/c1-8-4-10(16)7-11(5-8)20(18,19)17-13-6-9(14)2-3-12(13)15/h2-7,17H,16H2,1H3.
What are the key properties of 3-amino-N-(2,5-difluorophenyl)-5-methylbenzenesulfonamide?
3-amino-N-(2,5-difluorophenyl)-5-methylbenzenesulfonamide 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 3-amino-N-(2,5-difluorophenyl)-5-methylbenzenesulfonamide is sourced from PubChem (CID 43256407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).