N-[(4-ethylsulfonylphenyl)methyl]-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzamide

C19H17F6NO4S — CID 118396005

IUPACN-[(4-ethylsulfonylphenyl)methyl]-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzamide
SMILESCCS(=O)(=O)c1ccc(CNC(=O)c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H17F6NO4S/c1-2-31(29,30)15-9-3-12(4-10-15)11-26-16(27)13-5-7-14(8-6-13)17(28,18(20,21)22)19(23,24)25/h3-10,28H,2,11H2,1H3,(H,26,27)
InChIKeyAAYVEWJMPQGTHE-UHFFFAOYSA-N
MW469.40 g/mol
LogP3.72
Rot. Bonds6

About N-[(4-ethylsulfonylphenyl)methyl]-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzamide

N-[(4-ethylsulfonylphenyl)methyl]-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzamide (PubChem CID 118396005) has the molecular formula C19H17F6NO4S and a molecular weight of 469.40 g/mol. Its IUPAC name is N-[(4-ethylsulfonylphenyl)methyl]-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzamide.

Molecular Properties

Compound NameN-[(4-ethylsulfonylphenyl)methyl]-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzamide
PubChem CID118396005
Molecular FormulaC19H17F6NO4S
Molecular Weight469.40 g/mol
Exact Mass469.08
IUPAC NameN-[(4-ethylsulfonylphenyl)methyl]-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzamide
SMILESCCS(=O)(=O)c1ccc(CNC(=O)c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H17F6NO4S/c1-2-31(29,30)15-9-3-12(4-10-15)11-26-16(27)13-5-7-14(8-6-13)17(28,18(20,21)22)19(23,24)25/h3-10,28H,2,11H2,1H3,(H,26,27)
InChIKeyAAYVEWJMPQGTHE-UHFFFAOYSA-N
XLogP3.72
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.40
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(4-ethylsulfonylphenyl)methyl]-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylsulfonylphenyl)methyl]-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzamide?
The IUPAC name of N-[(4-ethylsulfonylphenyl)methyl]-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzamide (CID 118396005) is N-[(4-ethylsulfonylphenyl)methyl]-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzamide.
What is the SMILES notation for N-[(4-ethylsulfonylphenyl)methyl]-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzamide?
The canonical SMILES for N-[(4-ethylsulfonylphenyl)methyl]-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzamide is CCS(=O)(=O)c1ccc(CNC(=O)c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[(4-ethylsulfonylphenyl)methyl]-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzamide?
The InChIKey is AAYVEWJMPQGTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F6NO4S/c1-2-31(29,30)15-9-3-12(4-10-15)11-26-16(27)13-5-7-14(8-6-13)17(28,18(20,21)22)19(23,24)25/h3-10,28H,2,11H2,1H3,(H,26,27).
What are the key properties of N-[(4-ethylsulfonylphenyl)methyl]-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzamide?
N-[(4-ethylsulfonylphenyl)methyl]-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzamide has a molecular weight of 469.40 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylsulfonylphenyl)methyl]-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzamide is sourced from PubChem (CID 118396005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).