3-fluoro-N-[(2R)-4-methylsulfonylbutan-2-yl]-5-(trifluoromethyl)benzamide

C13H15F4NO3S — CID 59897074

IUPAC3-fluoro-N-[(2R)-4-methylsulfonylbutan-2-yl]-5-(trifluoromethyl)benzamide
SMILESC[C@H](CCS(C)(=O)=O)NC(=O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C13H15F4NO3S/c1-8(3-4-22(2,20)21)18-12(19)9-5-10(13(15,16)17)7-11(14)6-9/h5-8H,3-4H2,1-2H3,(H,18,19)/t8-/m1/s1
InChIKeyXPWACLDOWAUCDP-MRVPVSSYSA-N
MW341.33 g/mol
LogP2.40
Rot. Bonds5

About 3-fluoro-N-[(2R)-4-methylsulfonylbutan-2-yl]-5-(trifluoromethyl)benzamide

3-fluoro-N-[(2R)-4-methylsulfonylbutan-2-yl]-5-(trifluoromethyl)benzamide (PubChem CID 59897074) has the molecular formula C13H15F4NO3S and a molecular weight of 341.33 g/mol. Its IUPAC name is 3-fluoro-N-[(2R)-4-methylsulfonylbutan-2-yl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(2R)-4-methylsulfonylbutan-2-yl]-5-(trifluoromethyl)benzamide
PubChem CID59897074
Molecular FormulaC13H15F4NO3S
Molecular Weight341.33 g/mol
Exact Mass341.07
IUPAC Name3-fluoro-N-[(2R)-4-methylsulfonylbutan-2-yl]-5-(trifluoromethyl)benzamide
SMILESC[C@H](CCS(C)(=O)=O)NC(=O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C13H15F4NO3S/c1-8(3-4-22(2,20)21)18-12(19)9-5-10(13(15,16)17)7-11(14)6-9/h5-8H,3-4H2,1-2H3,(H,18,19)/t8-/m1/s1
InChIKeyXPWACLDOWAUCDP-MRVPVSSYSA-N
XLogP2.40
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-N-[(2R)-4-methylsulfonylbutan-2-yl]-5-(trifluoromethyl)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

N-[(2S)-4-methylsulfonylbutan-2-yl]-3-(trifluoromethyl)benzamide
CID 70987921
3-fluoro-N-[(2R)-4-methylpentan-2-yl]-5-(trifluoromethyl)benzamide;methane
CID 162064632
1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-methylsulfonylpropan-1-ol
CID 115351041
N-(4-chlorobutan-2-yl)-3,5-difluorobenzamide
CID 83180651
undecyl 2-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]propanoate
CID 91737201
3-fluoro-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide
CID 71972456
3-amino-5-fluoro-N-(4-hydroxybutan-2-yl)benzamide
CID 83183642
3-chloro-N-[(2S)-4-methylsulfonylbutan-2-yl]benzamide
CID 70987923
3-fluoro-N-(1-naphthalen-2-ylethyl)-5-(trifluoromethyl)benzamide
CID 70693309
4-[[3-acetamido-5-(trifluoromethyl)benzoyl]amino]pentanoic acid
CID 120535032
3,5-difluoro-N-[(2R,4R)-4-hydroxypentan-2-yl]benzamide
CID 97350116
6-fluoro-N-[(2S)-4-methylsulfonylbutan-2-yl]-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide
CID 99716288

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(2R)-4-methylsulfonylbutan-2-yl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-fluoro-N-[(2R)-4-methylsulfonylbutan-2-yl]-5-(trifluoromethyl)benzamide (CID 59897074) is 3-fluoro-N-[(2R)-4-methylsulfonylbutan-2-yl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-fluoro-N-[(2R)-4-methylsulfonylbutan-2-yl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-fluoro-N-[(2R)-4-methylsulfonylbutan-2-yl]-5-(trifluoromethyl)benzamide is C[C@H](CCS(C)(=O)=O)NC(=O)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 3-fluoro-N-[(2R)-4-methylsulfonylbutan-2-yl]-5-(trifluoromethyl)benzamide?
The InChIKey is XPWACLDOWAUCDP-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H15F4NO3S/c1-8(3-4-22(2,20)21)18-12(19)9-5-10(13(15,16)17)7-11(14)6-9/h5-8H,3-4H2,1-2H3,(H,18,19)/t8-/m1/s1.
What are the key properties of 3-fluoro-N-[(2R)-4-methylsulfonylbutan-2-yl]-5-(trifluoromethyl)benzamide?
3-fluoro-N-[(2R)-4-methylsulfonylbutan-2-yl]-5-(trifluoromethyl)benzamide has a molecular weight of 341.33 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(2R)-4-methylsulfonylbutan-2-yl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 59897074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).