2-amino-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C10H12F4N2O2S — CID 55006792

IUPAC2-amino-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C10H12F4N2O2S/c1-2-16(6-10(12,13)14)19(17,18)9-4-3-7(11)5-8(9)15/h3-5H,2,6,15H2,1H3
InChIKeyVELPALOQBUSGHF-UHFFFAOYSA-N
MW300.28 g/mol
LogP1.98
Rot. Bonds4

About 2-amino-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide

2-amino-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 55006792) has the molecular formula C10H12F4N2O2S and a molecular weight of 300.28 g/mol. Its IUPAC name is 2-amino-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID55006792
Molecular FormulaC10H12F4N2O2S
Molecular Weight300.28 g/mol
Exact Mass300.06
IUPAC Name2-amino-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C10H12F4N2O2S/c1-2-16(6-10(12,13)14)19(17,18)9-4-3-7(11)5-8(9)15/h3-5H,2,6,15H2,1H3
InChIKeyVELPALOQBUSGHF-UHFFFAOYSA-N
XLogP1.98
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61106619
2-amino-N-(cyclopropylmethyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 63955321
2-amino-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 63698233
N-(2-aminoethyl)-2,4-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107493948
2-amino-4-fluoro-N-methyl-N-pentan-3-ylbenzenesulfonamide
CID 43570752
2-amino-N-ethyl-4-fluoro-N-phenylbenzenesulfonamide
CID 28514650
2-amino-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79849981
N-(2-aminoethyl)-5-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107493900
5-amino-N-ethyl-2-nitro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 62145688
2-amino-4-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 79382438
N-(2-bromoethyl)-5-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107492914
5-fluoro-2-methylsulfonylaniline
CID 22567345

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 2-amino-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 55006792) is 2-amino-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide is CCN(CC(F)(F)F)S(=O)(=O)c1ccc(F)cc1N.
What is the InChIKey of 2-amino-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is VELPALOQBUSGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F4N2O2S/c1-2-16(6-10(12,13)14)19(17,18)9-4-3-7(11)5-8(9)15/h3-5H,2,6,15H2,1H3.
What are the key properties of 2-amino-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
2-amino-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 300.28 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 55006792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).