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

C11H16F3N3O2S — CID 79896133

IUPAC5-amino-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbenzenesulfonamide
SMILESCCN(CC(F)(F)F)c1cc(N)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C11H16F3N3O2S/c1-3-17(6-11(12,13)14)9-4-8(15)5-10(7(9)2)20(16,18)19/h4-5H,3,6,15H2,1-2H3,(H2,16,18,19)
InChIKeyWXDBDBZHHMONLC-UHFFFAOYSA-N
MW311.33 g/mol
LogP1.61
Rot. Bonds4

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

5-amino-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbenzenesulfonamide (PubChem CID 79896133) has the molecular formula C11H16F3N3O2S and a molecular weight of 311.33 g/mol. Its IUPAC name is 5-amino-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbenzenesulfonamide
PubChem CID79896133
Molecular FormulaC11H16F3N3O2S
Molecular Weight311.33 g/mol
Exact Mass311.09
IUPAC Name5-amino-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbenzenesulfonamide
SMILESCCN(CC(F)(F)F)c1cc(N)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C11H16F3N3O2S/c1-3-17(6-11(12,13)14)9-4-8(15)5-10(7(9)2)20(16,18)19/h4-5H,3,6,15H2,1-2H3,(H2,16,18,19)
InChIKeyWXDBDBZHHMONLC-UHFFFAOYSA-N
XLogP1.61
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 51.61
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 5-amino-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbenzenesulfonamide (CID 79896133) is 5-amino-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbenzenesulfonamide is CCN(CC(F)(F)F)c1cc(N)cc(S(N)(=O)=O)c1C.
What is the InChIKey of 5-amino-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbenzenesulfonamide?
The InChIKey is WXDBDBZHHMONLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2S/c1-3-17(6-11(12,13)14)9-4-8(15)5-10(7(9)2)20(16,18)19/h4-5H,3,6,15H2,1-2H3,(H2,16,18,19).
What are the key properties of 5-amino-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbenzenesulfonamide?
5-amino-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbenzenesulfonamide has a molecular weight of 311.33 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbenzenesulfonamide is sourced from PubChem (CID 79896133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).