4-methylsulfonyl-N-[2-(3,3,3-trifluoropropyl)phenyl]benzamide

C17H16F3NO3S — CID 167869776

IUPAC4-methylsulfonyl-N-[2-(3,3,3-trifluoropropyl)phenyl]benzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2ccccc2CCC(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO3S/c1-25(23,24)14-8-6-13(7-9-14)16(22)21-15-5-3-2-4-12(15)10-11-17(18,19)20/h2-9H,10-11H2,1H3,(H,21,22)
InChIKeyMFSYCPOFKZVWTO-UHFFFAOYSA-N
MW371.38 g/mol
LogP3.84
Rot. Bonds5

About 4-methylsulfonyl-N-[2-(3,3,3-trifluoropropyl)phenyl]benzamide

4-methylsulfonyl-N-[2-(3,3,3-trifluoropropyl)phenyl]benzamide (PubChem CID 167869776) has the molecular formula C17H16F3NO3S and a molecular weight of 371.38 g/mol. Its IUPAC name is 4-methylsulfonyl-N-[2-(3,3,3-trifluoropropyl)phenyl]benzamide.

Molecular Properties

Compound Name4-methylsulfonyl-N-[2-(3,3,3-trifluoropropyl)phenyl]benzamide
PubChem CID167869776
Molecular FormulaC17H16F3NO3S
Molecular Weight371.38 g/mol
Exact Mass371.08
IUPAC Name4-methylsulfonyl-N-[2-(3,3,3-trifluoropropyl)phenyl]benzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2ccccc2CCC(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO3S/c1-25(23,24)14-8-6-13(7-9-14)16(22)21-15-5-3-2-4-12(15)10-11-17(18,19)20/h2-9H,10-11H2,1H3,(H,21,22)
InChIKeyMFSYCPOFKZVWTO-UHFFFAOYSA-N
XLogP3.84
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-(3,3,3-trifluoropropyl)phenyl]propanamide;hydrochloride
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4-(dimethylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]benzamide
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N-(2-ethylphenyl)-4-(propylsulfamoyl)benzamide
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1-(dimethylsulfamoylamino)-2-(3,3,3-trifluoropropyl)benzene
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N-(2-chloro-3-pyridinyl)-4-methylsulfonylbenzamide
CID 103607627
4-(difluoromethylsulfonyl)-N-[2-(ethoxymethyl)phenyl]benzamide
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N-[2-(2-cyanoethylsulfanyl)phenyl]-4-methylsulfonylbenzamide
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4-methylsulfonylbenzohydrazide
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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-N-[2-(3,3,3-trifluoropropyl)phenyl]benzamide?
The IUPAC name of 4-methylsulfonyl-N-[2-(3,3,3-trifluoropropyl)phenyl]benzamide (CID 167869776) is 4-methylsulfonyl-N-[2-(3,3,3-trifluoropropyl)phenyl]benzamide.
What is the SMILES notation for 4-methylsulfonyl-N-[2-(3,3,3-trifluoropropyl)phenyl]benzamide?
The canonical SMILES for 4-methylsulfonyl-N-[2-(3,3,3-trifluoropropyl)phenyl]benzamide is CS(=O)(=O)c1ccc(C(=O)Nc2ccccc2CCC(F)(F)F)cc1.
What is the InChIKey of 4-methylsulfonyl-N-[2-(3,3,3-trifluoropropyl)phenyl]benzamide?
The InChIKey is MFSYCPOFKZVWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO3S/c1-25(23,24)14-8-6-13(7-9-14)16(22)21-15-5-3-2-4-12(15)10-11-17(18,19)20/h2-9H,10-11H2,1H3,(H,21,22).
What are the key properties of 4-methylsulfonyl-N-[2-(3,3,3-trifluoropropyl)phenyl]benzamide?
4-methylsulfonyl-N-[2-(3,3,3-trifluoropropyl)phenyl]benzamide has a molecular weight of 371.38 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-N-[2-(3,3,3-trifluoropropyl)phenyl]benzamide is sourced from PubChem (CID 167869776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).