3-methylsulfonyl-5-(trifluoromethoxy)benzamide

C9H8F3NO4S — CID 175648713

IUPAC3-methylsulfonyl-5-(trifluoromethoxy)benzamide
SMILESCS(=O)(=O)c1cc(OC(F)(F)F)cc(C(N)=O)c1
InChIInChI=1S/C9H8F3NO4S/c1-18(15,16)7-3-5(8(13)14)2-6(4-7)17-9(10,11)12/h2-4H,1H3,(H2,13,14)
InChIKeyWYMSVFSSIKGPLF-UHFFFAOYSA-N
MW283.23 g/mol
LogP1.09
Rot. Bonds3

About 3-methylsulfonyl-5-(trifluoromethoxy)benzamide

3-methylsulfonyl-5-(trifluoromethoxy)benzamide (PubChem CID 175648713) has the molecular formula C9H8F3NO4S and a molecular weight of 283.23 g/mol. Its IUPAC name is 3-methylsulfonyl-5-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name3-methylsulfonyl-5-(trifluoromethoxy)benzamide
PubChem CID175648713
Molecular FormulaC9H8F3NO4S
Molecular Weight283.23 g/mol
Exact Mass283.01
IUPAC Name3-methylsulfonyl-5-(trifluoromethoxy)benzamide
SMILESCS(=O)(=O)c1cc(OC(F)(F)F)cc(C(N)=O)c1
InChIInChI=1S/C9H8F3NO4S/c1-18(15,16)7-3-5(8(13)14)2-6(4-7)17-9(10,11)12/h2-4H,1H3,(H2,13,14)
InChIKeyWYMSVFSSIKGPLF-UHFFFAOYSA-N
XLogP1.09
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.23
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-5-(trifluoromethoxy)benzamide?
The IUPAC name of 3-methylsulfonyl-5-(trifluoromethoxy)benzamide (CID 175648713) is 3-methylsulfonyl-5-(trifluoromethoxy)benzamide.
What is the SMILES notation for 3-methylsulfonyl-5-(trifluoromethoxy)benzamide?
The canonical SMILES for 3-methylsulfonyl-5-(trifluoromethoxy)benzamide is CS(=O)(=O)c1cc(OC(F)(F)F)cc(C(N)=O)c1.
What is the InChIKey of 3-methylsulfonyl-5-(trifluoromethoxy)benzamide?
The InChIKey is WYMSVFSSIKGPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO4S/c1-18(15,16)7-3-5(8(13)14)2-6(4-7)17-9(10,11)12/h2-4H,1H3,(H2,13,14).
What are the key properties of 3-methylsulfonyl-5-(trifluoromethoxy)benzamide?
3-methylsulfonyl-5-(trifluoromethoxy)benzamide has a molecular weight of 283.23 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-5-(trifluoromethoxy)benzamide is sourced from PubChem (CID 175648713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).