[5-(diethylamino)-2-methylphenyl]-(trifluoromethylsulfonyl)azanide

C12H16F3N2O2S- — CID 58663767

IUPAC[5-(diethylamino)-2-methylphenyl]-(trifluoromethylsulfonyl)azanide
SMILESCCN(CC)c1ccc(C)c([N-]S(=O)(=O)C(F)(F)F)c1
InChIInChI=1S/C12H16F3N2O2S/c1-4-17(5-2)10-7-6-9(3)11(8-10)16-20(18,19)12(13,14)15/h6-8H,4-5H2,1-3H3/q-1
InChIKeySTAUYYIWQQZCPH-UHFFFAOYSA-N
MW309.33 g/mol
LogP3.70
Rot. Bonds5

About [5-(diethylamino)-2-methylphenyl]-(trifluoromethylsulfonyl)azanide

[5-(diethylamino)-2-methylphenyl]-(trifluoromethylsulfonyl)azanide (PubChem CID 58663767) has the molecular formula C12H16F3N2O2S- and a molecular weight of 309.33 g/mol. Its IUPAC name is [5-(diethylamino)-2-methylphenyl]-(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Name[5-(diethylamino)-2-methylphenyl]-(trifluoromethylsulfonyl)azanide
PubChem CID58663767
Molecular FormulaC12H16F3N2O2S-
Molecular Weight309.33 g/mol
Exact Mass309.09
IUPAC Name[5-(diethylamino)-2-methylphenyl]-(trifluoromethylsulfonyl)azanide
SMILESCCN(CC)c1ccc(C)c([N-]S(=O)(=O)C(F)(F)F)c1
InChIInChI=1S/C12H16F3N2O2S/c1-4-17(5-2)10-7-6-9(3)11(8-10)16-20(18,19)12(13,14)15/h6-8H,4-5H2,1-3H3/q-1
InChIKeySTAUYYIWQQZCPH-UHFFFAOYSA-N
XLogP3.70
TPSA51.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [5-(diethylamino)-2-methylphenyl]-(trifluoromethylsulfonyl)azanide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(diethylamino)-2-methylphenyl]-(trifluoromethylsulfonyl)azanide?
The IUPAC name of [5-(diethylamino)-2-methylphenyl]-(trifluoromethylsulfonyl)azanide (CID 58663767) is [5-(diethylamino)-2-methylphenyl]-(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for [5-(diethylamino)-2-methylphenyl]-(trifluoromethylsulfonyl)azanide?
The canonical SMILES for [5-(diethylamino)-2-methylphenyl]-(trifluoromethylsulfonyl)azanide is CCN(CC)c1ccc(C)c([N-]S(=O)(=O)C(F)(F)F)c1.
What is the InChIKey of [5-(diethylamino)-2-methylphenyl]-(trifluoromethylsulfonyl)azanide?
The InChIKey is STAUYYIWQQZCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N2O2S/c1-4-17(5-2)10-7-6-9(3)11(8-10)16-20(18,19)12(13,14)15/h6-8H,4-5H2,1-3H3/q-1.
What are the key properties of [5-(diethylamino)-2-methylphenyl]-(trifluoromethylsulfonyl)azanide?
[5-(diethylamino)-2-methylphenyl]-(trifluoromethylsulfonyl)azanide has a molecular weight of 309.33 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(diethylamino)-2-methylphenyl]-(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 58663767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).