N-[2-bromo-4-(trifluoromethoxy)phenyl]ethanesulfonamide

C9H9BrF3NO3S — CID 171393233

IUPACN-[2-bromo-4-(trifluoromethoxy)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(OC(F)(F)F)cc1Br
InChIInChI=1S/C9H9BrF3NO3S/c1-2-18(15,16)14-8-4-3-6(5-7(8)10)17-9(11,12)13/h3-5,14H,2H2,1H3
InChIKeyJJZRCRJMZDSWPQ-UHFFFAOYSA-N
MW348.14 g/mol
LogP3.11
Rot. Bonds4

About N-[2-bromo-4-(trifluoromethoxy)phenyl]ethanesulfonamide

N-[2-bromo-4-(trifluoromethoxy)phenyl]ethanesulfonamide (PubChem CID 171393233) has the molecular formula C9H9BrF3NO3S and a molecular weight of 348.14 g/mol. Its IUPAC name is N-[2-bromo-4-(trifluoromethoxy)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-bromo-4-(trifluoromethoxy)phenyl]ethanesulfonamide
PubChem CID171393233
Molecular FormulaC9H9BrF3NO3S
Molecular Weight348.14 g/mol
Exact Mass346.94
IUPAC NameN-[2-bromo-4-(trifluoromethoxy)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(OC(F)(F)F)cc1Br
InChIInChI=1S/C9H9BrF3NO3S/c1-2-18(15,16)14-8-4-3-6(5-7(8)10)17-9(11,12)13/h3-5,14H,2H2,1H3
InChIKeyJJZRCRJMZDSWPQ-UHFFFAOYSA-N
XLogP3.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.14
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-methoxyphenyl)ethanesulfonamide
CID 171393230
N-[2-bromo-4-(trifluoromethoxy)phenyl]-2-methylpropanamide
CID 22048751
ethyl 3-bromo-4-(ethylsulfonylamino)benzoate
CID 43624445
2-bromo-N-butyl-4-(trifluoromethoxy)benzenesulfonamide
CID 26985676
N-[2-bromo-4-(trifluoromethoxy)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22621238
N-(2-bromo-4-nitrophenyl)ethanesulfonamide
CID 60642817
2-bromo-1-methyl-4-(trifluoromethoxy)benzene
CID 54333957
N-[4-bromo-2-(trifluoromethoxy)phenyl]-1-chloromethanesulfonamide
CID 103193585
[2-bromo-4-(trifluoromethoxy)phenyl]azanium
CID 146757846
N-[3-methyl-6-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide
CID 155679982
1-[2-bromo-5-(trifluoromethoxy)phenyl]propan-1-amine
CID 83988951
N-(4-ethoxy-2-methylphenyl)ethanesulfonamide
CID 61063373

Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-4-(trifluoromethoxy)phenyl]ethanesulfonamide?
The IUPAC name of N-[2-bromo-4-(trifluoromethoxy)phenyl]ethanesulfonamide (CID 171393233) is N-[2-bromo-4-(trifluoromethoxy)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[2-bromo-4-(trifluoromethoxy)phenyl]ethanesulfonamide?
The canonical SMILES for N-[2-bromo-4-(trifluoromethoxy)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(OC(F)(F)F)cc1Br.
What is the InChIKey of N-[2-bromo-4-(trifluoromethoxy)phenyl]ethanesulfonamide?
The InChIKey is JJZRCRJMZDSWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3NO3S/c1-2-18(15,16)14-8-4-3-6(5-7(8)10)17-9(11,12)13/h3-5,14H,2H2,1H3.
What are the key properties of N-[2-bromo-4-(trifluoromethoxy)phenyl]ethanesulfonamide?
N-[2-bromo-4-(trifluoromethoxy)phenyl]ethanesulfonamide has a molecular weight of 348.14 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-4-(trifluoromethoxy)phenyl]ethanesulfonamide is sourced from PubChem (CID 171393233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).