N-[3-(trifluoromethyl)phenyl]methanesulfonamide

C8H8F3NO2S — CID 594873

IUPACN-[3-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H8F3NO2S/c1-15(13,14)12-7-4-2-3-6(5-7)8(9,10)11/h2-5,12H,1H3
InChIKeyABDSELXYGSLVMY-UHFFFAOYSA-N
MW239.22 g/mol
LogP2.08
Rot. Bonds2

About N-[3-(trifluoromethyl)phenyl]methanesulfonamide

N-[3-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 594873) has the molecular formula C8H8F3NO2S and a molecular weight of 239.22 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID594873
Molecular FormulaC8H8F3NO2S
Molecular Weight239.22 g/mol
Exact Mass239.02
IUPAC NameN-[3-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H8F3NO2S/c1-15(13,14)12-7-4-2-3-6(5-7)8(9,10)11/h2-5,12H,1H3
InChIKeyABDSELXYGSLVMY-UHFFFAOYSA-N
XLogP2.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]methanesulfonamide (CID 594873) is N-[3-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is ABDSELXYGSLVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2S/c1-15(13,14)12-7-4-2-3-6(5-7)8(9,10)11/h2-5,12H,1H3.
What are the key properties of N-[3-(trifluoromethyl)phenyl]methanesulfonamide?
N-[3-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 239.22 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 594873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).