5-bromo-2-(2,2,2-trifluoroethoxy)benzenesulfonamide

C8H7BrF3NO3S — CID 62104800

IUPAC5-bromo-2-(2,2,2-trifluoroethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Br)ccc1OCC(F)(F)F
InChIInChI=1S/C8H7BrF3NO3S/c9-5-1-2-6(16-4-8(10,11)12)7(3-5)17(13,14)15/h1-3H,4H2,(H2,13,14,15)
InChIKeyYTJZZXGMZYOBDC-UHFFFAOYSA-N
MW334.11 g/mol
LogP2.04
Rot. Bonds3

About 5-bromo-2-(2,2,2-trifluoroethoxy)benzenesulfonamide

5-bromo-2-(2,2,2-trifluoroethoxy)benzenesulfonamide (PubChem CID 62104800) has the molecular formula C8H7BrF3NO3S and a molecular weight of 334.11 g/mol. Its IUPAC name is 5-bromo-2-(2,2,2-trifluoroethoxy)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-(2,2,2-trifluoroethoxy)benzenesulfonamide
PubChem CID62104800
Molecular FormulaC8H7BrF3NO3S
Molecular Weight334.11 g/mol
Exact Mass332.93
IUPAC Name5-bromo-2-(2,2,2-trifluoroethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Br)ccc1OCC(F)(F)F
InChIInChI=1S/C8H7BrF3NO3S/c9-5-1-2-6(16-4-8(10,11)12)7(3-5)17(13,14)15/h1-3H,4H2,(H2,13,14,15)
InChIKeyYTJZZXGMZYOBDC-UHFFFAOYSA-N
XLogP2.04
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.11
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(3-fluoropropoxy)benzenesulfonamide
CID 81113386
5-bromo-2-(2-bromoprop-2-enoxy)benzenesulfonamide
CID 82914474
5-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenesulfonamide
CID 112590347
5-bromo-3-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 43164412
5-bromo-2-but-3-ynoxybenzenesulfonamide
CID 82915032
2-(4-bromo-2-sulfamoylphenoxy)-N-cyclopentylacetamide
CID 82916266
2-(4-bromo-2-sulfamoylphenoxy)-N-ethylacetamide
CID 82914401
5-bromo-2-[(3,4-dichlorophenyl)methoxy]benzenesulfonamide
CID 62103693
5-bromo-2-(2-propylsulfonylethoxy)benzenesulfonamide
CID 106726866
5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethoxy]benzenesulfonamide
CID 61490332
4-bromo-2-isocyano-1-(2,2,2-trifluoroethoxy)benzene
CID 58516372
2-(4-bromo-2-sulfamoylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 82916940

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,2,2-trifluoroethoxy)benzenesulfonamide?
The IUPAC name of 5-bromo-2-(2,2,2-trifluoroethoxy)benzenesulfonamide (CID 62104800) is 5-bromo-2-(2,2,2-trifluoroethoxy)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-(2,2,2-trifluoroethoxy)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-(2,2,2-trifluoroethoxy)benzenesulfonamide is NS(=O)(=O)c1cc(Br)ccc1OCC(F)(F)F.
What is the InChIKey of 5-bromo-2-(2,2,2-trifluoroethoxy)benzenesulfonamide?
The InChIKey is YTJZZXGMZYOBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3NO3S/c9-5-1-2-6(16-4-8(10,11)12)7(3-5)17(13,14)15/h1-3H,4H2,(H2,13,14,15).
What are the key properties of 5-bromo-2-(2,2,2-trifluoroethoxy)benzenesulfonamide?
5-bromo-2-(2,2,2-trifluoroethoxy)benzenesulfonamide has a molecular weight of 334.11 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,2,2-trifluoroethoxy)benzenesulfonamide is sourced from PubChem (CID 62104800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).