N-[2-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide

C9H9ClF3NO2S — CID 896759

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C9H9ClF3NO2S/c1-2-17(15,16)14-8-5-6(9(11,12)13)3-4-7(8)10/h3-5,14H,2H2,1H3
InChIKeyQIZMMOFZZFHCTJ-UHFFFAOYSA-N
MW287.69 g/mol
LogP3.12
Rot. Bonds3

About N-[2-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide

N-[2-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide (PubChem CID 896759) has the molecular formula C9H9ClF3NO2S and a molecular weight of 287.69 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide
PubChem CID896759
Molecular FormulaC9H9ClF3NO2S
Molecular Weight287.69 g/mol
Exact Mass287.00
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C9H9ClF3NO2S/c1-2-17(15,16)14-8-5-6(9(11,12)13)3-4-7(8)10/h3-5,14H,2H2,1H3
InChIKeyQIZMMOFZZFHCTJ-UHFFFAOYSA-N
XLogP3.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.69
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide (CID 896759) is N-[2-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide?
The InChIKey is QIZMMOFZZFHCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3NO2S/c1-2-17(15,16)14-8-5-6(9(11,12)13)3-4-7(8)10/h3-5,14H,2H2,1H3.
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide has a molecular weight of 287.69 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide is sourced from PubChem (CID 896759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).