2-(2-amino-4-methylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide

C11H13F3N2O3S — CID 81192842

IUPAC2-(2-amino-4-methylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)NCC(F)(F)F)c(N)c1
InChIInChI=1S/C11H13F3N2O3S/c1-7-2-3-9(8(15)4-7)20(18,19)5-10(17)16-6-11(12,13)14/h2-4H,5-6,15H2,1H3,(H,16,17)
InChIKeyDQOYTOFZPYSFJQ-UHFFFAOYSA-N
MW310.30 g/mol
LogP1.03
Rot. Bonds4

About 2-(2-amino-4-methylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide

2-(2-amino-4-methylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 81192842) has the molecular formula C11H13F3N2O3S and a molecular weight of 310.30 g/mol. Its IUPAC name is 2-(2-amino-4-methylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-4-methylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID81192842
Molecular FormulaC11H13F3N2O3S
Molecular Weight310.30 g/mol
Exact Mass310.06
IUPAC Name2-(2-amino-4-methylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)NCC(F)(F)F)c(N)c1
InChIInChI=1S/C11H13F3N2O3S/c1-7-2-3-9(8(15)4-7)20(18,19)5-10(17)16-6-11(12,13)14/h2-4H,5-6,15H2,1H3,(H,16,17)
InChIKeyDQOYTOFZPYSFJQ-UHFFFAOYSA-N
XLogP1.03
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N-ethylacetamide
CID 81174568
2-(4-aminophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide
CID 61492492
2-(2-amino-4-fluorophenyl)sulfonyl-N-tert-butylacetamide
CID 81186168
1-(2-amino-4-methylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 113462931
5-methyl-2-[3-(2,2,2-trifluoroethoxy)propylsulfonyl]aniline
CID 81191592
2-[(2-amino-4-methylphenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 61138984
2-(2-amino-4-fluorophenyl)sulfonyl-N-(3-methylbutyl)acetamide
CID 81184216
2-amino-4-methylbenzenesulfonic acid;methanamine
CID 19738432
2-[(3,5-dimethylphenyl)methylsulfonyl]-5-methylaniline
CID 81192314
5-methyl-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]benzenesulfonyl chloride
CID 82911879
2-(2-amino-4-chlorophenyl)sulfonyl-N-(2-methylpropyl)acetamide
CID 81175710
1-(2-amino-4-methylphenyl)sulfonylpropan-2-ol
CID 107889485

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-amino-4-methylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide (CID 81192842) is 2-(2-amino-4-methylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-amino-4-methylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-amino-4-methylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide is Cc1ccc(S(=O)(=O)CC(=O)NCC(F)(F)F)c(N)c1.
What is the InChIKey of 2-(2-amino-4-methylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is DQOYTOFZPYSFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3S/c1-7-2-3-9(8(15)4-7)20(18,19)5-10(17)16-6-11(12,13)14/h2-4H,5-6,15H2,1H3,(H,16,17).
What are the key properties of 2-(2-amino-4-methylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-amino-4-methylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 310.30 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-methylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 81192842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).