2-amino-N-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C11H15F3N2O2S — CID 55006891

IUPAC2-amino-N-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1c(C)cccc1N
InChIInChI=1S/C11H15F3N2O2S/c1-3-16(7-11(12,13)14)19(17,18)10-8(2)5-4-6-9(10)15/h4-6H,3,7,15H2,1-2H3
InChIKeyPJZROZAINMYQLD-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.15
Rot. Bonds4

About 2-amino-N-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

2-amino-N-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 55006891) has the molecular formula C11H15F3N2O2S and a molecular weight of 296.31 g/mol. Its IUPAC name is 2-amino-N-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID55006891
Molecular FormulaC11H15F3N2O2S
Molecular Weight296.31 g/mol
Exact Mass296.08
IUPAC Name2-amino-N-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1c(C)cccc1N
InChIInChI=1S/C11H15F3N2O2S/c1-3-16(7-11(12,13)14)19(17,18)10-8(2)5-4-6-9(10)15/h4-6H,3,7,15H2,1-2H3
InChIKeyPJZROZAINMYQLD-UHFFFAOYSA-N
XLogP2.15
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 2-amino-N-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 55006891) is 2-amino-N-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-N-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is CCN(CC(F)(F)F)S(=O)(=O)c1c(C)cccc1N.
What is the InChIKey of 2-amino-N-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is PJZROZAINMYQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S/c1-3-16(7-11(12,13)14)19(17,18)10-8(2)5-4-6-9(10)15/h4-6H,3,7,15H2,1-2H3.
What are the key properties of 2-amino-N-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
2-amino-N-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 296.31 g/mol, XLogP of 2.15, 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-6-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 55006891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).