5-bromo-N,N-diethyl-2-(trifluoromethoxy)benzenesulfonamide

C11H13BrF3NO3S — CID 91759197

IUPAC5-bromo-N,N-diethyl-2-(trifluoromethoxy)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(Br)ccc1OC(F)(F)F
InChIInChI=1S/C11H13BrF3NO3S/c1-3-16(4-2)20(17,18)10-7-8(12)5-6-9(10)19-11(13,14)15/h5-7H,3-4H2,1-2H3
InChIKeyYWLABFDKNBZJNV-UHFFFAOYSA-N
MW376.19 g/mol
LogP3.38
Rot. Bonds5

About 5-bromo-N,N-diethyl-2-(trifluoromethoxy)benzenesulfonamide

5-bromo-N,N-diethyl-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 91759197) has the molecular formula C11H13BrF3NO3S and a molecular weight of 376.19 g/mol. Its IUPAC name is 5-bromo-N,N-diethyl-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N,N-diethyl-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID91759197
Molecular FormulaC11H13BrF3NO3S
Molecular Weight376.19 g/mol
Exact Mass374.98
IUPAC Name5-bromo-N,N-diethyl-2-(trifluoromethoxy)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(Br)ccc1OC(F)(F)F
InChIInChI=1S/C11H13BrF3NO3S/c1-3-16(4-2)20(17,18)10-7-8(12)5-6-9(10)19-11(13,14)15/h5-7H,3-4H2,1-2H3
InChIKeyYWLABFDKNBZJNV-UHFFFAOYSA-N
XLogP3.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.19
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,N-diethyl-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of 5-bromo-N,N-diethyl-2-(trifluoromethoxy)benzenesulfonamide (CID 91759197) is 5-bromo-N,N-diethyl-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for 5-bromo-N,N-diethyl-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for 5-bromo-N,N-diethyl-2-(trifluoromethoxy)benzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(Br)ccc1OC(F)(F)F.
What is the InChIKey of 5-bromo-N,N-diethyl-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is YWLABFDKNBZJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3NO3S/c1-3-16(4-2)20(17,18)10-7-8(12)5-6-9(10)19-11(13,14)15/h5-7H,3-4H2,1-2H3.
What are the key properties of 5-bromo-N,N-diethyl-2-(trifluoromethoxy)benzenesulfonamide?
5-bromo-N,N-diethyl-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 376.19 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,N-diethyl-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 91759197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).