N-[3-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide

C9H9ClF3NO2S — CID 116700910

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

About N-[3-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide

N-[3-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide (PubChem CID 116700910) has the molecular formula C9H9ClF3NO2S and a molecular weight of 287.69 g/mol. Its IUPAC name is N-[3-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide
PubChem CID116700910
Molecular FormulaC9H9ClF3NO2S
Molecular Weight287.69 g/mol
Exact Mass287.00
IUPAC NameN-[3-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C9H9ClF3NO2S/c1-2-17(15,16)14-8-4-6(9(11,12)13)3-7(10)5-8/h3-5,14H,2H2,1H3
InChIKeyBWUGFFUTKPQWOS-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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Related Compounds

2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 107652535
N-[3-chloro-5-(trifluoromethyl)phenyl]propane-2-sulfonamide
CID 116700912
N-[3-chloro-5-(trifluoromethyl)phenyl]-4-(methylamino)butane-1-sulfonamide
CID 106083157
N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dichlorobenzenesulfonamide
CID 25022575
3-chloro-N-methyl-5-(trifluoromethyl)aniline;ethane
CID 144857976
3-chloro-N-(2,2-dimethylpropyl)-5-(trifluoromethyl)aniline
CID 116699062
3-chloro-N-(2,6-dimethylheptan-4-yl)-5-(trifluoromethyl)aniline
CID 116698994
1-[3-chloro-5-(trifluoromethyl)phenyl]-3-ethylurea
CID 116699308
2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide
CID 116699344
3-chloro-N-nonyl-5-(trifluoromethyl)aniline
CID 116699553
2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-ethylbutanamide
CID 116699866
3-chloro-N-hexan-2-yl-5-(trifluoromethyl)aniline
CID 116698988

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide?
The IUPAC name of N-[3-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide (CID 116700910) is N-[3-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[3-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide?
The InChIKey is BWUGFFUTKPQWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3NO2S/c1-2-17(15,16)14-8-4-6(9(11,12)13)3-7(10)5-8/h3-5,14H,2H2,1H3.
What are the key properties of N-[3-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide?
N-[3-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-[3-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide is sourced from PubChem (CID 116700910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).