2-(methylamino)-N-[3-(trifluoromethyl)phenyl]ethanesulfonamide

C10H13F3N2O2S — CID 54974654

IUPAC2-(methylamino)-N-[3-(trifluoromethyl)phenyl]ethanesulfonamide
SMILESCNCCS(=O)(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H13F3N2O2S/c1-14-5-6-18(16,17)15-9-4-2-3-8(7-9)10(11,12)13/h2-4,7,14-15H,5-6H2,1H3
InChIKeyBYOCFKRYIFKBIE-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.67
Rot. Bonds5

About 2-(methylamino)-N-[3-(trifluoromethyl)phenyl]ethanesulfonamide

2-(methylamino)-N-[3-(trifluoromethyl)phenyl]ethanesulfonamide (PubChem CID 54974654) has the molecular formula C10H13F3N2O2S and a molecular weight of 282.29 g/mol. Its IUPAC name is 2-(methylamino)-N-[3-(trifluoromethyl)phenyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(methylamino)-N-[3-(trifluoromethyl)phenyl]ethanesulfonamide
PubChem CID54974654
Molecular FormulaC10H13F3N2O2S
Molecular Weight282.29 g/mol
Exact Mass282.06
IUPAC Name2-(methylamino)-N-[3-(trifluoromethyl)phenyl]ethanesulfonamide
SMILESCNCCS(=O)(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H13F3N2O2S/c1-14-5-6-18(16,17)15-9-4-2-3-8(7-9)10(11,12)13/h2-4,7,14-15H,5-6H2,1H3
InChIKeyBYOCFKRYIFKBIE-UHFFFAOYSA-N
XLogP1.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[3-(trifluoromethyl)phenyl]ethanesulfonamide?
The IUPAC name of 2-(methylamino)-N-[3-(trifluoromethyl)phenyl]ethanesulfonamide (CID 54974654) is 2-(methylamino)-N-[3-(trifluoromethyl)phenyl]ethanesulfonamide.
What is the SMILES notation for 2-(methylamino)-N-[3-(trifluoromethyl)phenyl]ethanesulfonamide?
The canonical SMILES for 2-(methylamino)-N-[3-(trifluoromethyl)phenyl]ethanesulfonamide is CNCCS(=O)(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(methylamino)-N-[3-(trifluoromethyl)phenyl]ethanesulfonamide?
The InChIKey is BYOCFKRYIFKBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S/c1-14-5-6-18(16,17)15-9-4-2-3-8(7-9)10(11,12)13/h2-4,7,14-15H,5-6H2,1H3.
What are the key properties of 2-(methylamino)-N-[3-(trifluoromethyl)phenyl]ethanesulfonamide?
2-(methylamino)-N-[3-(trifluoromethyl)phenyl]ethanesulfonamide has a molecular weight of 282.29 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[3-(trifluoromethyl)phenyl]ethanesulfonamide is sourced from PubChem (CID 54974654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).