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

C22H17F3N2O4S — CID 60589025

IUPAC2-[(3-methylsulfonylbenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C22H17F3N2O4S/c1-32(30,31)17-9-4-6-14(12-17)20(28)27-19-11-3-2-10-18(19)21(29)26-16-8-5-7-15(13-16)22(23,24)25/h2-13H,1H3,(H,26,29)(H,27,28)
InChIKeyYRWGGEUCAUXBRE-UHFFFAOYSA-N
MW462.45 g/mol
LogP4.61
Rot. Bonds5

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

2-[(3-methylsulfonylbenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 60589025) has the molecular formula C22H17F3N2O4S and a molecular weight of 462.45 g/mol. Its IUPAC name is 2-[(3-methylsulfonylbenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-[(3-methylsulfonylbenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID60589025
Molecular FormulaC22H17F3N2O4S
Molecular Weight462.45 g/mol
Exact Mass462.09
IUPAC Name2-[(3-methylsulfonylbenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C22H17F3N2O4S/c1-32(30,31)17-9-4-6-14(12-17)20(28)27-19-11-3-2-10-18(19)21(29)26-16-8-5-7-15(13-16)22(23,24)25/h2-13H,1H3,(H,26,29)(H,27,28)
InChIKeyYRWGGEUCAUXBRE-UHFFFAOYSA-N
XLogP4.61
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.45
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylsulfonylbenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-[(3-methylsulfonylbenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 60589025) is 2-[(3-methylsulfonylbenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-[(3-methylsulfonylbenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-[(3-methylsulfonylbenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide is CS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 2-[(3-methylsulfonylbenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is YRWGGEUCAUXBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O4S/c1-32(30,31)17-9-4-6-14(12-17)20(28)27-19-11-3-2-10-18(19)21(29)26-16-8-5-7-15(13-16)22(23,24)25/h2-13H,1H3,(H,26,29)(H,27,28).
What are the key properties of 2-[(3-methylsulfonylbenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
2-[(3-methylsulfonylbenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 462.45 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylsulfonylbenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 60589025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).