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

C13H19F3N2O2S — CID 61107730

IUPAC5-amino-2,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1cc(N)cc(C)c1C
InChIInChI=1S/C13H19F3N2O2S/c1-4-5-18(8-13(14,15)16)21(19,20)12-7-11(17)6-9(2)10(12)3/h6-7H,4-5,8,17H2,1-3H3
InChIKeyFDMAPGNTLFHVKW-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.85
Rot. Bonds5

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

5-amino-2,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 61107730) has the molecular formula C13H19F3N2O2S and a molecular weight of 324.37 g/mol. Its IUPAC name is 5-amino-2,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID61107730
Molecular FormulaC13H19F3N2O2S
Molecular Weight324.37 g/mol
Exact Mass324.11
IUPAC Name5-amino-2,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1cc(N)cc(C)c1C
InChIInChI=1S/C13H19F3N2O2S/c1-4-5-18(8-13(14,15)16)21(19,20)12-7-11(17)6-9(2)10(12)3/h6-7H,4-5,8,17H2,1-3H3
InChIKeyFDMAPGNTLFHVKW-UHFFFAOYSA-N
XLogP2.85
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-2,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 5-amino-2,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 61107730) is 5-amino-2,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is CCCN(CC(F)(F)F)S(=O)(=O)c1cc(N)cc(C)c1C.
What is the InChIKey of 5-amino-2,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is FDMAPGNTLFHVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2S/c1-4-5-18(8-13(14,15)16)21(19,20)12-7-11(17)6-9(2)10(12)3/h6-7H,4-5,8,17H2,1-3H3.
What are the key properties of 5-amino-2,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
5-amino-2,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 324.37 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 61107730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).