3,5-difluoro-N-[4-[1-methyl-4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide

C22H27F2N3O3S — CID 68549276

IUPAC3,5-difluoro-N-[4-[1-methyl-4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide
SMILESCC(C)S(=O)(=O)NC1CCN(C)CC1c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C22H27F2N3O3S/c1-14(2)31(29,30)26-21-8-9-27(3)13-20(21)15-4-6-19(7-5-15)25-22(28)16-10-17(23)12-18(24)11-16/h4-7,10-12,14,20-21,26H,8-9,13H2,1-3H3,(H,25,28)
InChIKeyQZFBJPZPYHUGAA-UHFFFAOYSA-N
MW451.54 g/mol
LogP3.33
Rot. Bonds6

About 3,5-difluoro-N-[4-[1-methyl-4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide

3,5-difluoro-N-[4-[1-methyl-4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide (PubChem CID 68549276) has the molecular formula C22H27F2N3O3S and a molecular weight of 451.54 g/mol. Its IUPAC name is 3,5-difluoro-N-[4-[1-methyl-4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[4-[1-methyl-4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide
PubChem CID68549276
Molecular FormulaC22H27F2N3O3S
Molecular Weight451.54 g/mol
Exact Mass451.17
IUPAC Name3,5-difluoro-N-[4-[1-methyl-4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide
SMILESCC(C)S(=O)(=O)NC1CCN(C)CC1c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C22H27F2N3O3S/c1-14(2)31(29,30)26-21-8-9-27(3)13-20(21)15-4-6-19(7-5-15)25-22(28)16-10-17(23)12-18(24)11-16/h4-7,10-12,14,20-21,26H,8-9,13H2,1-3H3,(H,25,28)
InChIKeyQZFBJPZPYHUGAA-UHFFFAOYSA-N
XLogP3.33
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.54
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[4-[1-methyl-4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide?
The IUPAC name of 3,5-difluoro-N-[4-[1-methyl-4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide (CID 68549276) is 3,5-difluoro-N-[4-[1-methyl-4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[4-[1-methyl-4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[4-[1-methyl-4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide is CC(C)S(=O)(=O)NC1CCN(C)CC1c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1.
What is the InChIKey of 3,5-difluoro-N-[4-[1-methyl-4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide?
The InChIKey is QZFBJPZPYHUGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F2N3O3S/c1-14(2)31(29,30)26-21-8-9-27(3)13-20(21)15-4-6-19(7-5-15)25-22(28)16-10-17(23)12-18(24)11-16/h4-7,10-12,14,20-21,26H,8-9,13H2,1-3H3,(H,25,28).
What are the key properties of 3,5-difluoro-N-[4-[1-methyl-4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide?
3,5-difluoro-N-[4-[1-methyl-4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide has a molecular weight of 451.54 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[4-[1-methyl-4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide is sourced from PubChem (CID 68549276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).