N-(2-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzamide

C16H11F6NO3S — CID 55487840

IUPACN-(2-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzamide
SMILESCS(=O)(=O)c1ccccc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H11F6NO3S/c1-27(25,26)13-5-3-2-4-12(13)23-14(24)9-6-10(15(17,18)19)8-11(7-9)16(20,21)22/h2-8H,1H3,(H,23,24)
InChIKeyGKZCYTPAKYZZML-UHFFFAOYSA-N
MW411.32 g/mol
LogP4.38
Rot. Bonds3

About N-(2-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzamide

N-(2-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzamide (PubChem CID 55487840) has the molecular formula C16H11F6NO3S and a molecular weight of 411.32 g/mol. Its IUPAC name is N-(2-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzamide
PubChem CID55487840
Molecular FormulaC16H11F6NO3S
Molecular Weight411.32 g/mol
Exact Mass411.04
IUPAC NameN-(2-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzamide
SMILESCS(=O)(=O)c1ccccc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H11F6NO3S/c1-27(25,26)13-5-3-2-4-12(13)23-14(24)9-6-10(15(17,18)19)8-11(7-9)16(20,21)22/h2-8H,1H3,(H,23,24)
InChIKeyGKZCYTPAKYZZML-UHFFFAOYSA-N
XLogP4.38
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.32
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(2-methylsulfonylphenyl)benzamide
CID 40805420
2,2,2-trifluoro-N-(2-methylsulfonylphenyl)acetamide
CID 60707701
N-(2-carbamoylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 60592332
N-[2-(dimethylcarbamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 39233175
N-[2-(propylcarbamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 134460179
N-(2,5-dimethylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 2094760
N-[2-(3-methylphenoxy)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 2542213
N-(4-acetamidophenyl)-3,5-bis(trifluoromethyl)benzamide
CID 4842174
2-amino-2-methyl-N-(2-methylsulfonylphenyl)propanamide
CID 61265607
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(2-methylsulfonylphenyl)benzamide
CID 55535206
N-[2-[ethyl(phenyl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzamide
CID 108797110
N-(2,3-dimethylphenyl)-3-(trifluoromethyl)benzamide
CID 850563

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-(2-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzamide (CID 55487840) is N-(2-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzamide is CS(=O)(=O)c1ccccc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-(2-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is GKZCYTPAKYZZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F6NO3S/c1-27(25,26)13-5-3-2-4-12(13)23-14(24)9-6-10(15(17,18)19)8-11(7-9)16(20,21)22/h2-8H,1H3,(H,23,24).
What are the key properties of N-(2-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzamide?
N-(2-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 411.32 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 55487840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).