N-methylsulfonyl-4-[[3-(trifluoromethoxy)phenyl]methyl]benzamide

C16H14F3NO4S — CID 58046325

IUPACN-methylsulfonyl-4-[[3-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESCS(=O)(=O)NC(=O)c1ccc(Cc2cccc(OC(F)(F)F)c2)cc1
InChIInChI=1S/C16H14F3NO4S/c1-25(22,23)20-15(21)13-7-5-11(6-8-13)9-12-3-2-4-14(10-12)24-16(17,18)19/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyMZLPLMOXBNBDKK-UHFFFAOYSA-N
MW373.35 g/mol
LogP2.87
Rot. Bonds5

About N-methylsulfonyl-4-[[3-(trifluoromethoxy)phenyl]methyl]benzamide

N-methylsulfonyl-4-[[3-(trifluoromethoxy)phenyl]methyl]benzamide (PubChem CID 58046325) has the molecular formula C16H14F3NO4S and a molecular weight of 373.35 g/mol. Its IUPAC name is N-methylsulfonyl-4-[[3-(trifluoromethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-methylsulfonyl-4-[[3-(trifluoromethoxy)phenyl]methyl]benzamide
PubChem CID58046325
Molecular FormulaC16H14F3NO4S
Molecular Weight373.35 g/mol
Exact Mass373.06
IUPAC NameN-methylsulfonyl-4-[[3-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESCS(=O)(=O)NC(=O)c1ccc(Cc2cccc(OC(F)(F)F)c2)cc1
InChIInChI=1S/C16H14F3NO4S/c1-25(22,23)20-15(21)13-7-5-11(6-8-13)9-12-3-2-4-14(10-12)24-16(17,18)19/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyMZLPLMOXBNBDKK-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methylsulfonyl-4-[[3-(trifluoromethoxy)phenyl]methyl]benzamide?
The IUPAC name of N-methylsulfonyl-4-[[3-(trifluoromethoxy)phenyl]methyl]benzamide (CID 58046325) is N-methylsulfonyl-4-[[3-(trifluoromethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for N-methylsulfonyl-4-[[3-(trifluoromethoxy)phenyl]methyl]benzamide?
The canonical SMILES for N-methylsulfonyl-4-[[3-(trifluoromethoxy)phenyl]methyl]benzamide is CS(=O)(=O)NC(=O)c1ccc(Cc2cccc(OC(F)(F)F)c2)cc1.
What is the InChIKey of N-methylsulfonyl-4-[[3-(trifluoromethoxy)phenyl]methyl]benzamide?
The InChIKey is MZLPLMOXBNBDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO4S/c1-25(22,23)20-15(21)13-7-5-11(6-8-13)9-12-3-2-4-14(10-12)24-16(17,18)19/h2-8,10H,9H2,1H3,(H,20,21).
What are the key properties of N-methylsulfonyl-4-[[3-(trifluoromethoxy)phenyl]methyl]benzamide?
N-methylsulfonyl-4-[[3-(trifluoromethoxy)phenyl]methyl]benzamide has a molecular weight of 373.35 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonyl-4-[[3-(trifluoromethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 58046325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).