3-(methylsulfonylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide

C16H14F3NO4S — CID 16572209

IUPAC3-(methylsulfonylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide
SMILESCS(=O)(=O)Cc1cccc(C(=O)Nc2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C16H14F3NO4S/c1-25(22,23)10-11-5-4-6-12(9-11)15(21)20-13-7-2-3-8-14(13)24-16(17,18)19/h2-9H,10H2,1H3,(H,20,21)
InChIKeyLBVHPMXWEJKUSO-UHFFFAOYSA-N
MW373.35 g/mol
LogP3.38
Rot. Bonds5

About 3-(methylsulfonylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide

3-(methylsulfonylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide (PubChem CID 16572209) has the molecular formula C16H14F3NO4S and a molecular weight of 373.35 g/mol. Its IUPAC name is 3-(methylsulfonylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-(methylsulfonylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide
PubChem CID16572209
Molecular FormulaC16H14F3NO4S
Molecular Weight373.35 g/mol
Exact Mass373.06
IUPAC Name3-(methylsulfonylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide
SMILESCS(=O)(=O)Cc1cccc(C(=O)Nc2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C16H14F3NO4S/c1-25(22,23)10-11-5-4-6-12(9-11)15(21)20-13-7-2-3-8-14(13)24-16(17,18)19/h2-9H,10H2,1H3,(H,20,21)
InChIKeyLBVHPMXWEJKUSO-UHFFFAOYSA-N
XLogP3.38
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylphenoxy)phenyl]-3-(methylsulfonylmethyl)benzamide
CID 27669702
3-(pyrrolidin-1-ylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 60560548
3,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 16572159
N-[2-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide
CID 16572142
N-(4-bromo-2-fluorophenyl)-3-(methylsulfonylmethyl)benzamide
CID 27667525
3-(azepan-1-ylsulfonyl)-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 24525410
methyl 4-methyl-3-[[3-(methylsulfonylmethyl)benzoyl]amino]benzoate
CID 7669541
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-(methylsulfonylmethyl)benzamide
CID 57327095
4-iodo-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 43034347
N-(3,4-dimethoxyphenyl)-3-(methylsulfonylmethyl)benzamide
CID 27667578
N-(3,5-dimethylphenyl)-3-(methylsulfonylmethyl)benzamide
CID 7668726
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 134050501

Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfonylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 3-(methylsulfonylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide (CID 16572209) is 3-(methylsulfonylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 3-(methylsulfonylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 3-(methylsulfonylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide is CS(=O)(=O)Cc1cccc(C(=O)Nc2ccccc2OC(F)(F)F)c1.
What is the InChIKey of 3-(methylsulfonylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is LBVHPMXWEJKUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO4S/c1-25(22,23)10-11-5-4-6-12(9-11)15(21)20-13-7-2-3-8-14(13)24-16(17,18)19/h2-9H,10H2,1H3,(H,20,21).
What are the key properties of 3-(methylsulfonylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide?
3-(methylsulfonylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 373.35 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfonylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 16572209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).