3-methylsulfonyl-4-[3-(trifluoromethyl)phenyl]benzamide

C15H12F3NO3S — CID 122422474

IUPAC3-methylsulfonyl-4-[3-(trifluoromethyl)phenyl]benzamide
SMILESCS(=O)(=O)c1cc(C(N)=O)ccc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12F3NO3S/c1-23(21,22)13-8-10(14(19)20)5-6-12(13)9-3-2-4-11(7-9)15(16,17)18/h2-8H,1H3,(H2,19,20)
InChIKeyVDBWDNVBHGBITC-UHFFFAOYSA-N
MW343.33 g/mol
LogP2.87
Rot. Bonds3

About 3-methylsulfonyl-4-[3-(trifluoromethyl)phenyl]benzamide

3-methylsulfonyl-4-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 122422474) has the molecular formula C15H12F3NO3S and a molecular weight of 343.33 g/mol. Its IUPAC name is 3-methylsulfonyl-4-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-methylsulfonyl-4-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID122422474
Molecular FormulaC15H12F3NO3S
Molecular Weight343.33 g/mol
Exact Mass343.05
IUPAC Name3-methylsulfonyl-4-[3-(trifluoromethyl)phenyl]benzamide
SMILESCS(=O)(=O)c1cc(C(N)=O)ccc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12F3NO3S/c1-23(21,22)13-8-10(14(19)20)5-6-12(13)9-3-2-4-11(7-9)15(16,17)18/h2-8H,1H3,(H2,19,20)
InChIKeyVDBWDNVBHGBITC-UHFFFAOYSA-N
XLogP2.87
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methylsulfonyl-4-[3-(trifluoromethyl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-difluoro-5-[3-(trifluoromethyl)phenyl]benzamide
CID 172648845
5-chloro-2-[3-(trifluoromethyl)phenyl]benzamide
CID 118822797
5-amino-2-[3-(trifluoromethyl)phenyl]benzamide
CID 174888951
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol
CID 134627752
2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzamide
CID 173180452
3-fluoro-4-[3-(trifluoromethyl)phenyl]benzoyl chloride
CID 134620216
[2-[3-(2-hydroxypropan-2-yl)phenyl]-5-(trifluoromethyl)phenyl]urea
CID 141484569
4-fluoro-3-[3-(trifluoromethyl)phenyl]benzoic acid
CID 52984137
4-[5-methylsulfonyl-4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]phenol
CID 4984154
4-[3-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide
CID 163816150
2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753
2-methyl-3-[3-(trifluoromethyl)phenyl]benzoic acid
CID 53227606

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-4-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-methylsulfonyl-4-[3-(trifluoromethyl)phenyl]benzamide (CID 122422474) is 3-methylsulfonyl-4-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-methylsulfonyl-4-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-methylsulfonyl-4-[3-(trifluoromethyl)phenyl]benzamide is CS(=O)(=O)c1cc(C(N)=O)ccc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-methylsulfonyl-4-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is VDBWDNVBHGBITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO3S/c1-23(21,22)13-8-10(14(19)20)5-6-12(13)9-3-2-4-11(7-9)15(16,17)18/h2-8H,1H3,(H2,19,20).
What are the key properties of 3-methylsulfonyl-4-[3-(trifluoromethyl)phenyl]benzamide?
3-methylsulfonyl-4-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 343.33 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-4-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 122422474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).