2-methoxy-6-(trifluoromethoxy)benzenesulfonamide

C8H8F3NO4S — CID 125434816

IUPAC2-methoxy-6-(trifluoromethoxy)benzenesulfonamide
SMILESCOc1cccc(OC(F)(F)F)c1S(N)(=O)=O
InChIInChI=1S/C8H8F3NO4S/c1-15-5-3-2-4-6(16-8(9,10)11)7(5)17(12,13)14/h2-4H,1H3,(H2,12,13,14)
InChIKeyRSIXUWITPXWSKZ-UHFFFAOYSA-N
MW271.22 g/mol
LogP1.24
Rot. Bonds3

About 2-methoxy-6-(trifluoromethoxy)benzenesulfonamide

2-methoxy-6-(trifluoromethoxy)benzenesulfonamide (PubChem CID 125434816) has the molecular formula C8H8F3NO4S and a molecular weight of 271.22 g/mol. Its IUPAC name is 2-methoxy-6-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-6-(trifluoromethoxy)benzenesulfonamide
PubChem CID125434816
Molecular FormulaC8H8F3NO4S
Molecular Weight271.22 g/mol
Exact Mass271.01
IUPAC Name2-methoxy-6-(trifluoromethoxy)benzenesulfonamide
SMILESCOc1cccc(OC(F)(F)F)c1S(N)(=O)=O
InChIInChI=1S/C8H8F3NO4S/c1-15-5-3-2-4-6(16-8(9,10)11)7(5)17(12,13)14/h2-4H,1H3,(H2,12,13,14)
InChIKeyRSIXUWITPXWSKZ-UHFFFAOYSA-N
XLogP1.24
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.22
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluoroethylsulfanyl)-6-methoxybenzenesulfonamide
CID 23448653
2-(difluoromethyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 170998891
oxetan-2-yl 2-sulfamoyl-3-(trifluoromethoxy)benzoate
CID 18434813
2-fluoro-3-methoxybenzenesulfonamide
CID 82811316
ethyl 2-methoxy-6-(trifluoromethoxy)benzoate
CID 170997101
2-(2-methoxyphenyl)-6-(trifluoromethoxy)benzaldehyde
CID 172993966
2-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-N-methyl-6-(trifluoromethoxy)benzenesulfonamide
CID 136585269
6-fluoro-5-methoxy-3-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134676179
6-amino-2-bromo-3-(trifluoromethoxy)benzenesulfonamide
CID 134630706
N-methoxy-2-(trifluoromethoxy)benzenesulfonamide
CID 60713586
[2-methoxy-6-(trifluoromethoxy)phenyl]methanol
CID 134638773
1-methoxy-2-phenyl-3-(trifluoromethoxy)benzene
CID 18770174

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of 2-methoxy-6-(trifluoromethoxy)benzenesulfonamide (CID 125434816) is 2-methoxy-6-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-6-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for 2-methoxy-6-(trifluoromethoxy)benzenesulfonamide is COc1cccc(OC(F)(F)F)c1S(N)(=O)=O.
What is the InChIKey of 2-methoxy-6-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is RSIXUWITPXWSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO4S/c1-15-5-3-2-4-6(16-8(9,10)11)7(5)17(12,13)14/h2-4H,1H3,(H2,12,13,14).
What are the key properties of 2-methoxy-6-(trifluoromethoxy)benzenesulfonamide?
2-methoxy-6-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 271.22 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 125434816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).