2-(4-aminophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide

C10H11F3N2O3S — CID 61492492

IUPAC2-(4-aminophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESNc1ccc(S(=O)(=O)CC(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C10H11F3N2O3S/c11-10(12,13)6-15-9(16)5-19(17,18)8-3-1-7(14)2-4-8/h1-4H,5-6,14H2,(H,15,16)
InChIKeyGKVSGCHFRHOBAN-UHFFFAOYSA-N
MW296.27 g/mol
LogP0.72
Rot. Bonds4

About 2-(4-aminophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide

2-(4-aminophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 61492492) has the molecular formula C10H11F3N2O3S and a molecular weight of 296.27 g/mol. Its IUPAC name is 2-(4-aminophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID61492492
Molecular FormulaC10H11F3N2O3S
Molecular Weight296.27 g/mol
Exact Mass296.04
IUPAC Name2-(4-aminophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESNc1ccc(S(=O)(=O)CC(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C10H11F3N2O3S/c11-10(12,13)6-15-9(16)5-19(17,18)8-3-1-7(14)2-4-8/h1-4H,5-6,14H2,(H,15,16)
InChIKeyGKVSGCHFRHOBAN-UHFFFAOYSA-N
XLogP0.72
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 50.72
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 2-(4-aminophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-aminophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide (CID 61492492) is 2-(4-aminophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-aminophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-aminophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide is Nc1ccc(S(=O)(=O)CC(=O)NCC(F)(F)F)cc1.
What is the InChIKey of 2-(4-aminophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is GKVSGCHFRHOBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3S/c11-10(12,13)6-15-9(16)5-19(17,18)8-3-1-7(14)2-4-8/h1-4H,5-6,14H2,(H,15,16).
What are the key properties of 2-(4-aminophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-aminophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 296.27 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 61492492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).