2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide

C9H10F4N2O2S — CID 63037026

IUPAC2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide
SMILESNCCS(=O)(=O)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C9H10F4N2O2S/c10-7-2-1-6(9(11,12)13)5-8(7)15-18(16,17)4-3-14/h1-2,5,15H,3-4,14H2
InChIKeyAALIQVMQRIZZAU-UHFFFAOYSA-N
MW286.25 g/mol
LogP1.54
Rot. Bonds4

About 2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide

2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide (PubChem CID 63037026) has the molecular formula C9H10F4N2O2S and a molecular weight of 286.25 g/mol. Its IUPAC name is 2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide
PubChem CID63037026
Molecular FormulaC9H10F4N2O2S
Molecular Weight286.25 g/mol
Exact Mass286.04
IUPAC Name2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide
SMILESNCCS(=O)(=O)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C9H10F4N2O2S/c10-7-2-1-6(9(11,12)13)5-8(7)15-18(16,17)4-3-14/h1-2,5,15H,3-4,14H2
InChIKeyAALIQVMQRIZZAU-UHFFFAOYSA-N
XLogP1.54
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 22773510
2-amino-N-(4-chloro-2-fluorophenyl)ethanesulfonamide
CID 61472414
2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 113220712
N-[2-fluoro-5-(trifluoromethyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 22773507
2,5-difluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22773502
3-amino-N-[2-cyano-4-(trifluoromethyl)phenyl]propane-1-sulfonamide
CID 115911070
N-[2-bromo-5-(trifluoromethyl)phenyl]-2-chloroethanesulfonamide
CID 114043489
2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 65491007
N-[2-fluoro-5-(trifluoromethyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 17376520
N-[2-amino-4-(trifluoromethyl)phenyl]butane-1-sulfonamide
CID 16774838
3-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]propane-1-sulfonamide
CID 66476430
1-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonamide
CID 18891357

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide?
The IUPAC name of 2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide (CID 63037026) is 2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide.
What is the SMILES notation for 2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide?
The canonical SMILES for 2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide is NCCS(=O)(=O)Nc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide?
The InChIKey is AALIQVMQRIZZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F4N2O2S/c10-7-2-1-6(9(11,12)13)5-8(7)15-18(16,17)4-3-14/h1-2,5,15H,3-4,14H2.
What are the key properties of 2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide?
2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide has a molecular weight of 286.25 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide is sourced from PubChem (CID 63037026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).