3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide

C10H14F3N3O2S — CID 55011048

IUPAC3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide
SMILESCCN(CC(F)(F)F)c1cc(N)cc(S(N)(=O)=O)c1
InChIInChI=1S/C10H14F3N3O2S/c1-2-16(6-10(11,12)13)8-3-7(14)4-9(5-8)19(15,17)18/h3-5H,2,6,14H2,1H3,(H2,15,17,18)
InChIKeyCOEZPEJEIXWFMC-UHFFFAOYSA-N
MW297.30 g/mol
LogP1.30
Rot. Bonds4

About 3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide

3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide (PubChem CID 55011048) has the molecular formula C10H14F3N3O2S and a molecular weight of 297.30 g/mol. Its IUPAC name is 3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide
PubChem CID55011048
Molecular FormulaC10H14F3N3O2S
Molecular Weight297.30 g/mol
Exact Mass297.08
IUPAC Name3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide
SMILESCCN(CC(F)(F)F)c1cc(N)cc(S(N)(=O)=O)c1
InChIInChI=1S/C10H14F3N3O2S/c1-2-16(6-10(11,12)13)8-3-7(14)4-9(5-8)19(15,17)18/h3-5H,2,6,14H2,1H3,(H2,15,17,18)
InChIKeyCOEZPEJEIXWFMC-UHFFFAOYSA-N
XLogP1.30
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide?
The IUPAC name of 3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide (CID 55011048) is 3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide.
What is the SMILES notation for 3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide?
The canonical SMILES for 3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide is CCN(CC(F)(F)F)c1cc(N)cc(S(N)(=O)=O)c1.
What is the InChIKey of 3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide?
The InChIKey is COEZPEJEIXWFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2S/c1-2-16(6-10(11,12)13)8-3-7(14)4-9(5-8)19(15,17)18/h3-5H,2,6,14H2,1H3,(H2,15,17,18).
What are the key properties of 3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide?
3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide has a molecular weight of 297.30 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide is sourced from PubChem (CID 55011048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).