3-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C10H13F3N2O2S — CID 60891164

IUPAC3-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)N(C)CC(F)(F)F)c1
InChIInChI=1S/C10H13F3N2O2S/c1-7-3-8(14)5-9(4-7)18(16,17)15(2)6-10(11,12)13/h3-5H,6,14H2,1-2H3
InChIKeySZZLDLYNIYDKTF-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.76
Rot. Bonds3

About 3-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

3-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 60891164) has the molecular formula C10H13F3N2O2S and a molecular weight of 282.29 g/mol. Its IUPAC name is 3-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID60891164
Molecular FormulaC10H13F3N2O2S
Molecular Weight282.29 g/mol
Exact Mass282.06
IUPAC Name3-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)N(C)CC(F)(F)F)c1
InChIInChI=1S/C10H13F3N2O2S/c1-7-3-8(14)5-9(4-7)18(16,17)15(2)6-10(11,12)13/h3-5H,6,14H2,1-2H3
InChIKeySZZLDLYNIYDKTF-UHFFFAOYSA-N
XLogP1.76
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide 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 3-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 3-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 60891164) is 3-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)N(C)CC(F)(F)F)c1.
What is the InChIKey of 3-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is SZZLDLYNIYDKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S/c1-7-3-8(14)5-9(4-7)18(16,17)15(2)6-10(11,12)13/h3-5H,6,14H2,1-2H3.
What are the key properties of 3-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
3-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 282.29 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 60891164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).