5-amino-2-ethoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C10H13F3N2O3S — CID 43662920

IUPAC5-amino-2-ethoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCCOc1ccc(N)cc1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C10H13F3N2O3S/c1-2-18-8-4-3-7(14)5-9(8)19(16,17)15-6-10(11,12)13/h3-5,15H,2,6,14H2,1H3
InChIKeyLSHILMOFNYMCFH-UHFFFAOYSA-N
MW298.29 g/mol
LogP1.51
Rot. Bonds5

About 5-amino-2-ethoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide

5-amino-2-ethoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 43662920) has the molecular formula C10H13F3N2O3S and a molecular weight of 298.29 g/mol. Its IUPAC name is 5-amino-2-ethoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-ethoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID43662920
Molecular FormulaC10H13F3N2O3S
Molecular Weight298.29 g/mol
Exact Mass298.06
IUPAC Name5-amino-2-ethoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCCOc1ccc(N)cc1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C10H13F3N2O3S/c1-2-18-8-4-3-7(14)5-9(8)19(16,17)15-6-10(11,12)13/h3-5,15H,2,6,14H2,1H3
InChIKeyLSHILMOFNYMCFH-UHFFFAOYSA-N
XLogP1.51
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 51.51
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-2-ethoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-ethoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 43662920) is 5-amino-2-ethoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-ethoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-ethoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide is CCOc1ccc(N)cc1S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 5-amino-2-ethoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is LSHILMOFNYMCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O3S/c1-2-18-8-4-3-7(14)5-9(8)19(16,17)15-6-10(11,12)13/h3-5,15H,2,6,14H2,1H3.
What are the key properties of 5-amino-2-ethoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
5-amino-2-ethoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 298.29 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-ethoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 43662920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).