4-methylsulfonyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]benzamide

C17H16F3NO4S — CID 47043794

IUPAC4-methylsulfonyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
SMILESCS(=O)(=O)c1ccc(C(=O)NCCc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C17H16F3NO4S/c1-26(23,24)15-8-4-13(5-9-15)16(22)21-11-10-12-2-6-14(7-3-12)25-17(18,19)20/h2-9H,10-11H2,1H3,(H,21,22)
InChIKeyNKRUFNHZNUGNKY-UHFFFAOYSA-N
MW387.38 g/mol
LogP2.96
Rot. Bonds6

About 4-methylsulfonyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]benzamide

4-methylsulfonyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]benzamide (PubChem CID 47043794) has the molecular formula C17H16F3NO4S and a molecular weight of 387.38 g/mol. Its IUPAC name is 4-methylsulfonyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name4-methylsulfonyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
PubChem CID47043794
Molecular FormulaC17H16F3NO4S
Molecular Weight387.38 g/mol
Exact Mass387.08
IUPAC Name4-methylsulfonyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
SMILESCS(=O)(=O)c1ccc(C(=O)NCCc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C17H16F3NO4S/c1-26(23,24)15-8-4-13(5-9-15)16(22)21-11-10-12-2-6-14(7-3-12)25-17(18,19)20/h2-9H,10-11H2,1H3,(H,21,22)
InChIKeyNKRUFNHZNUGNKY-UHFFFAOYSA-N
XLogP2.96
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,3-dimethylbut-1-enyl)-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide
CID 72629224
4-[2-[4-(trifluoromethoxy)phenyl]ethylsulfamoyl]benzamide
CID 87032752
4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 56961355
N-[2-(4-ethylsulfonylphenyl)ethyl]-4-methoxybenzamide
CID 110790705
N-(2-pyridin-3-ylethyl)-4-(trifluoromethoxy)benzamide
CID 39559682
4-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 24575991
N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 46613009
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 2162417
N-butyl-4-[2-[[2-(methylamino)-2-[4-(trifluoromethoxy)phenyl]acetyl]amino]ethyl]benzamide
CID 91053637
4-(methylsulfamoyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 27774274
2-chloro-2,2-difluoro-N-[2-(4-methylsulfonylphenyl)ethyl]acetamide
CID 91661460
N-[2-(4-methoxyphenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 27548428

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]benzamide?
The IUPAC name of 4-methylsulfonyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]benzamide (CID 47043794) is 4-methylsulfonyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]benzamide.
What is the SMILES notation for 4-methylsulfonyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]benzamide?
The canonical SMILES for 4-methylsulfonyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]benzamide is CS(=O)(=O)c1ccc(C(=O)NCCc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 4-methylsulfonyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]benzamide?
The InChIKey is NKRUFNHZNUGNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO4S/c1-26(23,24)15-8-4-13(5-9-15)16(22)21-11-10-12-2-6-14(7-3-12)25-17(18,19)20/h2-9H,10-11H2,1H3,(H,21,22).
What are the key properties of 4-methylsulfonyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]benzamide?
4-methylsulfonyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]benzamide has a molecular weight of 387.38 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]benzamide is sourced from PubChem (CID 47043794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).