N-[4-bromo-3-(trifluoromethyl)phenyl]ethanesulfonamide

C9H9BrF3NO2S — CID 3671592

IUPACN-[4-bromo-3-(trifluoromethyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C9H9BrF3NO2S/c1-2-17(15,16)14-6-3-4-8(10)7(5-6)9(11,12)13/h3-5,14H,2H2,1H3
InChIKeySQWKPCBZDBARBI-UHFFFAOYSA-N
MW332.14 g/mol
LogP3.23
Rot. Bonds3

About N-[4-bromo-3-(trifluoromethyl)phenyl]ethanesulfonamide

N-[4-bromo-3-(trifluoromethyl)phenyl]ethanesulfonamide (PubChem CID 3671592) has the molecular formula C9H9BrF3NO2S and a molecular weight of 332.14 g/mol. Its IUPAC name is N-[4-bromo-3-(trifluoromethyl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-bromo-3-(trifluoromethyl)phenyl]ethanesulfonamide
PubChem CID3671592
Molecular FormulaC9H9BrF3NO2S
Molecular Weight332.14 g/mol
Exact Mass330.95
IUPAC NameN-[4-bromo-3-(trifluoromethyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C9H9BrF3NO2S/c1-2-17(15,16)14-6-3-4-8(10)7(5-6)9(11,12)13/h3-5,14H,2H2,1H3
InChIKeySQWKPCBZDBARBI-UHFFFAOYSA-N
XLogP3.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.14
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-bromo-3-(trifluoromethyl)phenyl]methanesulfonamide
CID 3734435
N-[4-methyl-3-(trifluoromethyl)phenyl]ethanesulfonamide
CID 60705439
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 3791581
N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(methylamino)propane-2-sulfonamide
CID 106003246
N-(3-bromo-4-fluorophenyl)ethanesulfonamide
CID 104779628
4-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-bromo-2-(trifluoromethyl)benzene
CID 106003250
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
CID 3858047
N-[4-bromo-3-(trifluoromethyl)phenyl]-3-methylbenzenesulfonamide
CID 3706332
4-bromo-N-butyl-3-(trifluoromethyl)aniline
CID 43228567
4-bromo-N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)aniline
CID 64628921
4-bromo-N-heptan-4-yl-3-(trifluoromethyl)aniline
CID 43680414
4-bromo-N-(4-ethoxyphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 98000732

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]ethanesulfonamide?
The IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]ethanesulfonamide (CID 3671592) is N-[4-bromo-3-(trifluoromethyl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-bromo-3-(trifluoromethyl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-bromo-3-(trifluoromethyl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-bromo-3-(trifluoromethyl)phenyl]ethanesulfonamide?
The InChIKey is SQWKPCBZDBARBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3NO2S/c1-2-17(15,16)14-6-3-4-8(10)7(5-6)9(11,12)13/h3-5,14H,2H2,1H3.
What are the key properties of N-[4-bromo-3-(trifluoromethyl)phenyl]ethanesulfonamide?
N-[4-bromo-3-(trifluoromethyl)phenyl]ethanesulfonamide has a molecular weight of 332.14 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-3-(trifluoromethyl)phenyl]ethanesulfonamide is sourced from PubChem (CID 3671592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).