2-[3-(trifluoromethyl)phenyl]sulfonylethanamine

C9H10F3NO2S — CID 58684070

IUPAC2-[3-(trifluoromethyl)phenyl]sulfonylethanamine
SMILESNCCS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H10F3NO2S/c10-9(11,12)7-2-1-3-8(6-7)16(14,15)5-4-13/h1-3,6H,4-5,13H2
InChIKeyVISBUYXNUUACLR-UHFFFAOYSA-N
MW253.24 g/mol
LogP1.44
Rot. Bonds3

About 2-[3-(trifluoromethyl)phenyl]sulfonylethanamine

2-[3-(trifluoromethyl)phenyl]sulfonylethanamine (PubChem CID 58684070) has the molecular formula C9H10F3NO2S and a molecular weight of 253.24 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]sulfonylethanamine.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]sulfonylethanamine
PubChem CID58684070
Molecular FormulaC9H10F3NO2S
Molecular Weight253.24 g/mol
Exact Mass253.04
IUPAC Name2-[3-(trifluoromethyl)phenyl]sulfonylethanamine
SMILESNCCS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H10F3NO2S/c10-9(11,12)7-2-1-3-8(6-7)16(14,15)5-4-13/h1-3,6H,4-5,13H2
InChIKeyVISBUYXNUUACLR-UHFFFAOYSA-N
XLogP1.44
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]sulfonylethanamine?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]sulfonylethanamine (CID 58684070) is 2-[3-(trifluoromethyl)phenyl]sulfonylethanamine.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]sulfonylethanamine?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]sulfonylethanamine is NCCS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]sulfonylethanamine?
The InChIKey is VISBUYXNUUACLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2S/c10-9(11,12)7-2-1-3-8(6-7)16(14,15)5-4-13/h1-3,6H,4-5,13H2.
What are the key properties of 2-[3-(trifluoromethyl)phenyl]sulfonylethanamine?
2-[3-(trifluoromethyl)phenyl]sulfonylethanamine has a molecular weight of 253.24 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]sulfonylethanamine is sourced from PubChem (CID 58684070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).