3-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C11H15F3N2O2S — CID 55010182

IUPAC3-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1cccc(CN)c1
InChIInChI=1S/C11H15F3N2O2S/c1-2-16(8-11(12,13)14)19(17,18)10-5-3-4-9(6-10)7-15/h3-6H,2,7-8,15H2,1H3
InChIKeyMTQTUWWSPWKLBU-UHFFFAOYSA-N
MW296.31 g/mol
LogP1.72
Rot. Bonds5

About 3-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

3-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 55010182) has the molecular formula C11H15F3N2O2S and a molecular weight of 296.31 g/mol. Its IUPAC name is 3-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID55010182
Molecular FormulaC11H15F3N2O2S
Molecular Weight296.31 g/mol
Exact Mass296.08
IUPAC Name3-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1cccc(CN)c1
InChIInChI=1S/C11H15F3N2O2S/c1-2-16(8-11(12,13)14)19(17,18)10-5-3-4-9(6-10)7-15/h3-6H,2,7-8,15H2,1H3
InChIKeyMTQTUWWSPWKLBU-UHFFFAOYSA-N
XLogP1.72
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 55010182) is 3-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is CCN(CC(F)(F)F)S(=O)(=O)c1cccc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is MTQTUWWSPWKLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S/c1-2-16(8-11(12,13)14)19(17,18)10-5-3-4-9(6-10)7-15/h3-6H,2,7-8,15H2,1H3.
What are the key properties of 3-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
3-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 296.31 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 55010182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).