2-(3-amino-2-methylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide

C11H13F3N2O3S — CID 81190817

IUPAC2-(3-amino-2-methylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1c(N)cccc1S(=O)(=O)CC(=O)NCC(F)(F)F
InChIInChI=1S/C11H13F3N2O3S/c1-7-8(15)3-2-4-9(7)20(18,19)5-10(17)16-6-11(12,13)14/h2-4H,5-6,15H2,1H3,(H,16,17)
InChIKeyJKORQADQTLQGFY-UHFFFAOYSA-N
MW310.30 g/mol
LogP1.03
Rot. Bonds4

About 2-(3-amino-2-methylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide

2-(3-amino-2-methylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 81190817) has the molecular formula C11H13F3N2O3S and a molecular weight of 310.30 g/mol. Its IUPAC name is 2-(3-amino-2-methylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-2-methylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID81190817
Molecular FormulaC11H13F3N2O3S
Molecular Weight310.30 g/mol
Exact Mass310.06
IUPAC Name2-(3-amino-2-methylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1c(N)cccc1S(=O)(=O)CC(=O)NCC(F)(F)F
InChIInChI=1S/C11H13F3N2O3S/c1-7-8(15)3-2-4-9(7)20(18,19)5-10(17)16-6-11(12,13)14/h2-4H,5-6,15H2,1H3,(H,16,17)
InChIKeyJKORQADQTLQGFY-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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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3-amino-2-methylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide (CID 81190817) is 2-(3-amino-2-methylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3-amino-2-methylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3-amino-2-methylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide is Cc1c(N)cccc1S(=O)(=O)CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(3-amino-2-methylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is JKORQADQTLQGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3S/c1-7-8(15)3-2-4-9(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-(3-amino-2-methylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(3-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-(3-amino-2-methylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 81190817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).