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

C9H11F3N2O2S — CID 43256482

IUPAC3-amino-5-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NCC(F)(F)F)c1
InChIInChI=1S/C9H11F3N2O2S/c1-6-2-7(13)4-8(3-6)17(15,16)14-5-9(10,11)12/h2-4,14H,5,13H2,1H3
InChIKeyGPOHKUOZUYRXOC-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.42
Rot. Bonds3

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

3-amino-5-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 43256482) has the molecular formula C9H11F3N2O2S and a molecular weight of 268.26 g/mol. Its IUPAC name is 3-amino-5-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID43256482
Molecular FormulaC9H11F3N2O2S
Molecular Weight268.26 g/mol
Exact Mass268.05
IUPAC Name3-amino-5-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NCC(F)(F)F)c1
InChIInChI=1S/C9H11F3N2O2S/c1-6-2-7(13)4-8(3-6)17(15,16)14-5-9(10,11)12/h2-4,14H,5,13H2,1H3
InChIKeyGPOHKUOZUYRXOC-UHFFFAOYSA-N
XLogP1.42
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-5-methyl-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-5-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 3-amino-5-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 43256482) is 3-amino-5-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)NCC(F)(F)F)c1.
What is the InChIKey of 3-amino-5-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is GPOHKUOZUYRXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2S/c1-6-2-7(13)4-8(3-6)17(15,16)14-5-9(10,11)12/h2-4,14H,5,13H2,1H3.
What are the key properties of 3-amino-5-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
3-amino-5-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 268.26 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 43256482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).