N-[3-(trifluoromethyl)phenyl]ethanesulfonamide

C9H10F3NO2S — CID 5189076

IUPACN-[3-(trifluoromethyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H10F3NO2S/c1-2-16(14,15)13-8-5-3-4-7(6-8)9(10,11)12/h3-6,13H,2H2,1H3
InChIKeyQFOPNAZFPRTLTR-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.47
Rot. Bonds3

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

N-[3-(trifluoromethyl)phenyl]ethanesulfonamide (PubChem CID 5189076) has the molecular formula C9H10F3NO2S and a molecular weight of 253.25 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]ethanesulfonamide
PubChem CID5189076
Molecular FormulaC9H10F3NO2S
Molecular Weight253.25 g/mol
Exact Mass253.04
IUPAC NameN-[3-(trifluoromethyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H10F3NO2S/c1-2-16(14,15)13-8-5-3-4-7(6-8)9(10,11)12/h3-6,13H,2H2,1H3
InChIKeyQFOPNAZFPRTLTR-UHFFFAOYSA-N
XLogP2.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.47
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]ethanesulfonamide?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]ethanesulfonamide (CID 5189076) is N-[3-(trifluoromethyl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]ethanesulfonamide?
The InChIKey is QFOPNAZFPRTLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2S/c1-2-16(14,15)13-8-5-3-4-7(6-8)9(10,11)12/h3-6,13H,2H2,1H3.
What are the key properties of N-[3-(trifluoromethyl)phenyl]ethanesulfonamide?
N-[3-(trifluoromethyl)phenyl]ethanesulfonamide has a molecular weight of 253.25 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]ethanesulfonamide is sourced from PubChem (CID 5189076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).