N-(2-amino-5-fluorophenyl)-1,1,1-trifluoromethanesulfonamide

C7H6F4N2O2S — CID 63257611

IUPACN-(2-amino-5-fluorophenyl)-1,1,1-trifluoromethanesulfonamide
SMILESNc1ccc(F)cc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H6F4N2O2S/c8-4-1-2-5(12)6(3-4)13-16(14,15)7(9,10)11/h1-3,13H,12H2
InChIKeyWDIRLKVGVNVVCC-UHFFFAOYSA-N
MW258.20 g/mol
LogP1.67
Rot. Bonds2

About N-(2-amino-5-fluorophenyl)-1,1,1-trifluoromethanesulfonamide

N-(2-amino-5-fluorophenyl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 63257611) has the molecular formula C7H6F4N2O2S and a molecular weight of 258.20 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2-amino-5-fluorophenyl)-1,1,1-trifluoromethanesulfonamide
PubChem CID63257611
Molecular FormulaC7H6F4N2O2S
Molecular Weight258.20 g/mol
Exact Mass258.01
IUPAC NameN-(2-amino-5-fluorophenyl)-1,1,1-trifluoromethanesulfonamide
SMILESNc1ccc(F)cc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H6F4N2O2S/c8-4-1-2-5(12)6(3-4)13-16(14,15)7(9,10)11/h1-3,13H,12H2
InChIKeyWDIRLKVGVNVVCC-UHFFFAOYSA-N
XLogP1.67
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 51.67
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-aminophenyl)-1,1,1-trifluoromethanesulfonamide
CID 43605598
N-(5-amino-2-fluorophenyl)-1,1,1-trifluoromethanesulfonamide
CID 43604958
1,1,1-trifluoro-N-(4-fluoro-2-propan-2-ylphenyl)methanesulfonamide
CID 130409599
N-(2-amino-5-fluorophenyl)-3,5-dimethylbenzenesulfonamide
CID 63257001
N-(2-amino-5-fluorophenyl)-2,3,4-trifluorobenzenesulfonamide
CID 63257823
N-[2-[(E)-N-ethoxy-C-methylcarbonimidoyl]-5-fluorophenyl]-1,1,1-trifluoromethanesulfonamide
CID 25096132
N-(2-amino-5-fluorophenyl)-5-tert-butylthiophene-2-sulfonamide
CID 167841193
N-(2-amino-5-fluorophenyl)-2-phenylethenesulfonamide
CID 76991022
N-(2-amino-5-fluorophenyl)-3-methylbenzenesulfonamide
CID 63258167
N-(2-amino-5-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide
CID 63257691
2-amino-N-(2-amino-5-fluorophenyl)acetamide
CID 110477650
1-(2-amino-5-fluoroanilino)-2-methylpropan-2-ol
CID 65103407

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-fluorophenyl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(2-amino-5-fluorophenyl)-1,1,1-trifluoromethanesulfonamide (CID 63257611) is N-(2-amino-5-fluorophenyl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(2-amino-5-fluorophenyl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(2-amino-5-fluorophenyl)-1,1,1-trifluoromethanesulfonamide is Nc1ccc(F)cc1NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-(2-amino-5-fluorophenyl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is WDIRLKVGVNVVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F4N2O2S/c8-4-1-2-5(12)6(3-4)13-16(14,15)7(9,10)11/h1-3,13H,12H2.
What are the key properties of N-(2-amino-5-fluorophenyl)-1,1,1-trifluoromethanesulfonamide?
N-(2-amino-5-fluorophenyl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 258.20 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-fluorophenyl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 63257611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).