2-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide

C9H10F3NO3S — CID 67327886

IUPAC2-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCOCc1c(C(F)(F)F)cccc1S(N)(=O)=O
InChIInChI=1S/C9H10F3NO3S/c1-16-5-6-7(9(10,11)12)3-2-4-8(6)17(13,14)15/h2-4H,5H2,1H3,(H2,13,14,15)
InChIKeyUTIDFAXYOHMFBA-UHFFFAOYSA-N
MW269.24 g/mol
LogP1.50
Rot. Bonds3

About 2-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide

2-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 67327886) has the molecular formula C9H10F3NO3S and a molecular weight of 269.24 g/mol. Its IUPAC name is 2-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID67327886
Molecular FormulaC9H10F3NO3S
Molecular Weight269.24 g/mol
Exact Mass269.03
IUPAC Name2-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCOCc1c(C(F)(F)F)cccc1S(N)(=O)=O
InChIInChI=1S/C9H10F3NO3S/c1-16-5-6-7(9(10,11)12)3-2-4-8(6)17(13,14)15/h2-4H,5H2,1H3,(H2,13,14,15)
InChIKeyUTIDFAXYOHMFBA-UHFFFAOYSA-N
XLogP1.50
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 175046961
1-fluoro-2-(methoxymethyl)-3-(trifluoromethyl)benzene
CID 91726979
2-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 140584359
2-cyano-3-(trifluoromethyl)benzenesulfonamide
CID 118996048
2-[[2-sulfonato-6-(trifluoromethyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonate
CID 158343158
2-sulfanyl-6-(trifluoromethyl)benzenesulfonamide
CID 23448648
1-chloro-2-[dideuterio(methoxy)methyl]-3-(trifluoromethyl)benzene
CID 176829052
4-fluoro-2-(methoxymethyl)benzenesulfonamide
CID 83271454
4-[2-(3-methylphenyl)propylamino]-2-(trifluoromethyl)benzenesulfonamide
CID 133340231
[2-(trifluoromethyl)phenyl]sulfonyloxymethyl 2-(trifluoromethyl)benzenesulfonate
CID 87942465
2-fluoro-3-methoxybenzenesulfonamide
CID 82811316
2-methylbenzenesulfonamide;(2-methylphenyl)methanamine;1-methyl-2-(trifluoromethyl)benzene;toluene;1,2-xylene
CID 90751264

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide (CID 67327886) is 2-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide is COCc1c(C(F)(F)F)cccc1S(N)(=O)=O.
What is the InChIKey of 2-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is UTIDFAXYOHMFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO3S/c1-16-5-6-7(9(10,11)12)3-2-4-8(6)17(13,14)15/h2-4H,5H2,1H3,(H2,13,14,15).
What are the key properties of 2-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide?
2-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 269.24 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 67327886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).