4-bromo-N-methyl-2-(trifluoromethoxy)benzenesulfonamide

C8H7BrF3NO3S — CID 59443440

IUPAC4-bromo-N-methyl-2-(trifluoromethoxy)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C8H7BrF3NO3S/c1-13-17(14,15)7-3-2-5(9)4-6(7)16-8(10,11)12/h2-4,13H,1H3
InChIKeyQHJGAQJYVBPQMC-UHFFFAOYSA-N
MW334.11 g/mol
LogP2.26
Rot. Bonds3

About 4-bromo-N-methyl-2-(trifluoromethoxy)benzenesulfonamide

4-bromo-N-methyl-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 59443440) has the molecular formula C8H7BrF3NO3S and a molecular weight of 334.11 g/mol. Its IUPAC name is 4-bromo-N-methyl-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-methyl-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID59443440
Molecular FormulaC8H7BrF3NO3S
Molecular Weight334.11 g/mol
Exact Mass332.93
IUPAC Name4-bromo-N-methyl-2-(trifluoromethoxy)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C8H7BrF3NO3S/c1-13-17(14,15)7-3-2-5(9)4-6(7)16-8(10,11)12/h2-4,13H,1H3
InChIKeyQHJGAQJYVBPQMC-UHFFFAOYSA-N
XLogP2.26
TPSA55.40 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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of 4-bromo-N-methyl-2-(trifluoromethoxy)benzenesulfonamide (CID 59443440) is 4-bromo-N-methyl-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-methyl-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-methyl-2-(trifluoromethoxy)benzenesulfonamide is CNS(=O)(=O)c1ccc(Br)cc1OC(F)(F)F.
What is the InChIKey of 4-bromo-N-methyl-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is QHJGAQJYVBPQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3NO3S/c1-13-17(14,15)7-3-2-5(9)4-6(7)16-8(10,11)12/h2-4,13H,1H3.
What are the key properties of 4-bromo-N-methyl-2-(trifluoromethoxy)benzenesulfonamide?
4-bromo-N-methyl-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 334.11 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 59443440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).