2-[methyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide

C16H15F3N2O3S — CID 1304606

IUPAC2-[methyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCN(c1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)S(C)(=O)=O
InChIInChI=1S/C16H15F3N2O3S/c1-21(25(2,23)24)14-9-4-3-8-13(14)15(22)20-12-7-5-6-11(10-12)16(17,18)19/h3-10H,1-2H3,(H,20,22)
InChIKeyIAMJCGYXSKBGEH-UHFFFAOYSA-N
MW372.37 g/mol
LogP3.35
Rot. Bonds4

About 2-[methyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide

2-[methyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 1304606) has the molecular formula C16H15F3N2O3S and a molecular weight of 372.37 g/mol. Its IUPAC name is 2-[methyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-[methyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID1304606
Molecular FormulaC16H15F3N2O3S
Molecular Weight372.37 g/mol
Exact Mass372.08
IUPAC Name2-[methyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCN(c1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)S(C)(=O)=O
InChIInChI=1S/C16H15F3N2O3S/c1-21(25(2,23)24)14-9-4-3-8-13(14)15(22)20-12-7-5-6-11(10-12)16(17,18)19/h3-10H,1-2H3,(H,20,22)
InChIKeyIAMJCGYXSKBGEH-UHFFFAOYSA-N
XLogP3.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 1304606) is 2-[methyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-[methyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-[methyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide is CN(c1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)S(C)(=O)=O.
What is the InChIKey of 2-[methyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is IAMJCGYXSKBGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3S/c1-21(25(2,23)24)14-9-4-3-8-13(14)15(22)20-12-7-5-6-11(10-12)16(17,18)19/h3-10H,1-2H3,(H,20,22).
What are the key properties of 2-[methyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
2-[methyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 372.37 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 1304606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).