2-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide

C10H12F3NO3S — CID 69184757

IUPAC2-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCOCc1c(S(N)(=O)=O)ccc(C)c1C(F)(F)F
InChIInChI=1S/C10H12F3NO3S/c1-6-3-4-8(18(14,15)16)7(5-17-2)9(6)10(11,12)13/h3-4H,5H2,1-2H3,(H2,14,15,16)
InChIKeyIDFHJONIQMBWIB-UHFFFAOYSA-N
MW283.27 g/mol
LogP1.81
Rot. Bonds3

About 2-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide

2-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 69184757) has the molecular formula C10H12F3NO3S and a molecular weight of 283.27 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide
PubChem CID69184757
Molecular FormulaC10H12F3NO3S
Molecular Weight283.27 g/mol
Exact Mass283.05
IUPAC Name2-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCOCc1c(S(N)(=O)=O)ccc(C)c1C(F)(F)F
InChIInChI=1S/C10H12F3NO3S/c1-6-3-4-8(18(14,15)16)7(5-17-2)9(6)10(11,12)13/h3-4H,5H2,1-2H3,(H2,14,15,16)
InChIKeyIDFHJONIQMBWIB-UHFFFAOYSA-N
XLogP1.81
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide (CID 69184757) is 2-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide is COCc1c(S(N)(=O)=O)ccc(C)c1C(F)(F)F.
What is the InChIKey of 2-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is IDFHJONIQMBWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO3S/c1-6-3-4-8(18(14,15)16)7(5-17-2)9(6)10(11,12)13/h3-4H,5H2,1-2H3,(H2,14,15,16).
What are the key properties of 2-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide?
2-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 283.27 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 69184757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).