2-(5-amino-2-methylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide

C11H13F3N2O3S — CID 81190447

IUPAC2-(5-amino-2-methylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ccc(N)cc1S(=O)(=O)CC(=O)NCC(F)(F)F
InChIInChI=1S/C11H13F3N2O3S/c1-7-2-3-8(15)4-9(7)20(18,19)5-10(17)16-6-11(12,13)14/h2-4H,5-6,15H2,1H3,(H,16,17)
InChIKeyOBCJPWDRSBSSMA-UHFFFAOYSA-N
MW310.30 g/mol
LogP1.03
Rot. Bonds4

About 2-(5-amino-2-methylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide

2-(5-amino-2-methylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 81190447) has the molecular formula C11H13F3N2O3S and a molecular weight of 310.30 g/mol. Its IUPAC name is 2-(5-amino-2-methylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-2-methylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID81190447
Molecular FormulaC11H13F3N2O3S
Molecular Weight310.30 g/mol
Exact Mass310.06
IUPAC Name2-(5-amino-2-methylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ccc(N)cc1S(=O)(=O)CC(=O)NCC(F)(F)F
InChIInChI=1S/C11H13F3N2O3S/c1-7-2-3-8(15)4-9(7)20(18,19)5-10(17)16-6-11(12,13)14/h2-4H,5-6,15H2,1H3,(H,16,17)
InChIKeyOBCJPWDRSBSSMA-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-(3-cyclohexylsulfonyl-4-methylanilino)-N-cyclopropylacetamide
CID 156010935
2-amino-N-[4-methyl-3-(trifluoromethylsulfonyl)phenyl]propanamide
CID 20390824
2-amino-N-[4-methyl-3-(trifluoromethylsulfonyl)phenyl]acetamide
CID 20390825
N-[2-[4-[(3-aminophenyl)sulfonyl]phenyl]ethyl]-2,2,2-trifluoroacetamide
CID 86593586
N-[2-[4-[[3-(acetylamino)phenyl]sulfonyl]-phenyl)ethyl]-2,2,2-trifluoroacetamide
CID 86593587
N-(4-cyano-3-(trifluoromethylsulfonyl)phenyl)acetamide
CID 86707643
5-Acetamido-4-fluoro-2-methylbenzenesulfonyl chloride;2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfanyl)aniline
CID 87282929
N-[2-[(3-aminophenyl)methylsulfonyl]ethyl]-2,2,2-trifluoroacetamide
CID 87498182
N-[2-[4-[3-(dimethylamino)phenyl]sulfonylphenyl]ethyl]-2,2,2-trifluoroacetamide
CID 88007577
N-[(5-amino-2-ethylsulfonylphenyl)methyl]-2,2,2-trifluoroacetamide
CID 88270563
N-[(5-amino-2-ethylsulfonylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide
CID 88270714
N-[(5-acetamido-2-ethylsulfonylphenyl)methyl]-2,2,2-trifluoroacetamide
CID 89227592

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-methylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(5-amino-2-methylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide (CID 81190447) is 2-(5-amino-2-methylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(5-amino-2-methylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(5-amino-2-methylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide is Cc1ccc(N)cc1S(=O)(=O)CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(5-amino-2-methylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is OBCJPWDRSBSSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3S/c1-7-2-3-8(15)4-9(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-(5-amino-2-methylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(5-amino-2-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-(5-amino-2-methylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 81190447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).