2-[3-(trifluoromethyl)phenyl]ethanesulfonamide

C9H10F3NO2S — CID 115047089

IUPAC2-[3-(trifluoromethyl)phenyl]ethanesulfonamide
SMILESNS(=O)(=O)CCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H10F3NO2S/c10-9(11,12)8-3-1-2-7(6-8)4-5-16(13,14)15/h1-3,6H,4-5H2,(H2,13,14,15)
InChIKeyQAPYNEMSTPBLRF-UHFFFAOYSA-N
MW253.24 g/mol
LogP1.54
Rot. Bonds3

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

2-[3-(trifluoromethyl)phenyl]ethanesulfonamide (PubChem CID 115047089) has the molecular formula C9H10F3NO2S and a molecular weight of 253.24 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]ethanesulfonamide.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]ethanesulfonamide
PubChem CID115047089
Molecular FormulaC9H10F3NO2S
Molecular Weight253.24 g/mol
Exact Mass253.04
IUPAC Name2-[3-(trifluoromethyl)phenyl]ethanesulfonamide
SMILESNS(=O)(=O)CCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H10F3NO2S/c10-9(11,12)8-3-1-2-7(6-8)4-5-16(13,14)15/h1-3,6H,4-5H2,(H2,13,14,15)
InChIKeyQAPYNEMSTPBLRF-UHFFFAOYSA-N
XLogP1.54
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-3-[2-[3-(trifluoromethyl)phenyl]ethyl]benzene
CID 172602830
N-[2-[3-(trifluoromethyl)phenyl]ethyl]methanesulfonamide
CID 5156375
formaldehyde;3-[3-(trifluoromethyl)phenyl]propanal
CID 174932519
3-[2-[3-(trifluoromethyl)phenyl]ethylamino]propane-1-sulfonic acid
CID 87844997
3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 18755618
sodium 1-hydroxy-3-[3-(trifluoromethyl)phenyl]propane-1-sulfonate
CID 134860445
4-methyl-2-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonic acid
CID 54384107
N-(2-sulfamoylethyl)-3-(trifluoromethyl)benzamide
CID 61068183
N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 23512860
2-[3-(trifluoromethyl)phenyl]ethyl hypochlorite
CID 70887141
2-[3-(trifluoromethyl)phenyl]ethyl formate
CID 87333633
CID 70262336
CID 70262336

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]ethanesulfonamide?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]ethanesulfonamide (CID 115047089) is 2-[3-(trifluoromethyl)phenyl]ethanesulfonamide.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]ethanesulfonamide?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]ethanesulfonamide is NS(=O)(=O)CCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]ethanesulfonamide?
The InChIKey is QAPYNEMSTPBLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2S/c10-9(11,12)8-3-1-2-7(6-8)4-5-16(13,14)15/h1-3,6H,4-5H2,(H2,13,14,15).
What are the key properties of 2-[3-(trifluoromethyl)phenyl]ethanesulfonamide?
2-[3-(trifluoromethyl)phenyl]ethanesulfonamide has a molecular weight of 253.24 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]ethanesulfonamide is sourced from PubChem (CID 115047089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).