1-methylsulfonyl-N-[3-(trifluoromethoxy)phenyl]methanesulfonamide

C9H10F3NO5S2 — CID 2741347

IUPAC1-methylsulfonyl-N-[3-(trifluoromethoxy)phenyl]methanesulfonamide
SMILESCS(=O)(=O)CS(=O)(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C9H10F3NO5S2/c1-19(14,15)6-20(16,17)13-7-3-2-4-8(5-7)18-9(10,11)12/h2-5,13H,6H2,1H3
InChIKeyDEODZXZTROFXQD-UHFFFAOYSA-N
MW333.31 g/mol
LogP1.33
Rot. Bonds5

About 1-methylsulfonyl-N-[3-(trifluoromethoxy)phenyl]methanesulfonamide

1-methylsulfonyl-N-[3-(trifluoromethoxy)phenyl]methanesulfonamide (PubChem CID 2741347) has the molecular formula C9H10F3NO5S2 and a molecular weight of 333.31 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[3-(trifluoromethoxy)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-[3-(trifluoromethoxy)phenyl]methanesulfonamide
PubChem CID2741347
Molecular FormulaC9H10F3NO5S2
Molecular Weight333.31 g/mol
Exact Mass333.00
IUPAC Name1-methylsulfonyl-N-[3-(trifluoromethoxy)phenyl]methanesulfonamide
SMILESCS(=O)(=O)CS(=O)(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C9H10F3NO5S2/c1-19(14,15)6-20(16,17)13-7-3-2-4-8(5-7)18-9(10,11)12/h2-5,13H,6H2,1H3
InChIKeyDEODZXZTROFXQD-UHFFFAOYSA-N
XLogP1.33
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methylsulfonyl-N-[3-(trifluoromethoxy)phenyl]methanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[3-(trifluoromethoxy)phenyl]methanesulfonamide?
The IUPAC name of 1-methylsulfonyl-N-[3-(trifluoromethoxy)phenyl]methanesulfonamide (CID 2741347) is 1-methylsulfonyl-N-[3-(trifluoromethoxy)phenyl]methanesulfonamide.
What is the SMILES notation for 1-methylsulfonyl-N-[3-(trifluoromethoxy)phenyl]methanesulfonamide?
The canonical SMILES for 1-methylsulfonyl-N-[3-(trifluoromethoxy)phenyl]methanesulfonamide is CS(=O)(=O)CS(=O)(=O)Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 1-methylsulfonyl-N-[3-(trifluoromethoxy)phenyl]methanesulfonamide?
The InChIKey is DEODZXZTROFXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO5S2/c1-19(14,15)6-20(16,17)13-7-3-2-4-8(5-7)18-9(10,11)12/h2-5,13H,6H2,1H3.
What are the key properties of 1-methylsulfonyl-N-[3-(trifluoromethoxy)phenyl]methanesulfonamide?
1-methylsulfonyl-N-[3-(trifluoromethoxy)phenyl]methanesulfonamide has a molecular weight of 333.31 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[3-(trifluoromethoxy)phenyl]methanesulfonamide is sourced from PubChem (CID 2741347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).