2-amino-N,3,6-trimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C11H15F3N2O2S — CID 103171199

IUPAC2-amino-N,3,6-trimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N(C)CC(F)(F)F)c1N
InChIInChI=1S/C11H15F3N2O2S/c1-7-4-5-8(2)10(9(7)15)19(17,18)16(3)6-11(12,13)14/h4-5H,6,15H2,1-3H3
InChIKeyALIMEASDKCAIJQ-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.07
Rot. Bonds3

About 2-amino-N,3,6-trimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

2-amino-N,3,6-trimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 103171199) has the molecular formula C11H15F3N2O2S and a molecular weight of 296.31 g/mol. Its IUPAC name is 2-amino-N,3,6-trimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N,3,6-trimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID103171199
Molecular FormulaC11H15F3N2O2S
Molecular Weight296.31 g/mol
Exact Mass296.08
IUPAC Name2-amino-N,3,6-trimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N(C)CC(F)(F)F)c1N
InChIInChI=1S/C11H15F3N2O2S/c1-7-4-5-8(2)10(9(7)15)19(17,18)16(3)6-11(12,13)14/h4-5H,6,15H2,1-3H3
InChIKeyALIMEASDKCAIJQ-UHFFFAOYSA-N
XLogP2.07
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-amino-N,3,6-trimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 2-amino-N,3,6-trimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 103171199) is 2-amino-N,3,6-trimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N,3,6-trimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-N,3,6-trimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)N(C)CC(F)(F)F)c1N.
What is the InChIKey of 2-amino-N,3,6-trimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is ALIMEASDKCAIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S/c1-7-4-5-8(2)10(9(7)15)19(17,18)16(3)6-11(12,13)14/h4-5H,6,15H2,1-3H3.
What are the key properties of 2-amino-N,3,6-trimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
2-amino-N,3,6-trimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 296.31 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,3,6-trimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 103171199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).