[3-cyclopropylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-[4-[2-[3-(difluoromethoxy)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone

C25H27F5N2O6S2 — CID 25255692

IUPAC[3-cyclopropylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-[4-[2-[3-(difluoromethoxy)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone
SMILESCC(C)(C1CCN(C(=O)c2ncc(C(F)(F)F)cc2S(=O)(=O)C2CC2)CC1)S(=O)(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C25H27F5N2O6S2/c1-24(2,40(36,37)19-5-3-4-17(13-19)38-23(26)27)15-8-10-32(11-9-15)22(33)21-20(39(34,35)18-6-7-18)12-16(14-31-21)25(28,29)30/h3-5,12-15,18,23H,6-11H2,1-2H3
InChIKeyLJUJYNCJGOJXFF-UHFFFAOYSA-N
MW610.62 g/mol
LogP4.74
Rot. Bonds8

About [3-cyclopropylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-[4-[2-[3-(difluoromethoxy)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone

[3-cyclopropylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-[4-[2-[3-(difluoromethoxy)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone (PubChem CID 25255692) has the molecular formula C25H27F5N2O6S2 and a molecular weight of 610.62 g/mol. Its IUPAC name is [3-cyclopropylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-[4-[2-[3-(difluoromethoxy)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-cyclopropylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-[4-[2-[3-(difluoromethoxy)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone
PubChem CID25255692
Molecular FormulaC25H27F5N2O6S2
Molecular Weight610.62 g/mol
Exact Mass610.12
IUPAC Name[3-cyclopropylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-[4-[2-[3-(difluoromethoxy)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone
SMILESCC(C)(C1CCN(C(=O)c2ncc(C(F)(F)F)cc2S(=O)(=O)C2CC2)CC1)S(=O)(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C25H27F5N2O6S2/c1-24(2,40(36,37)19-5-3-4-17(13-19)38-23(26)27)15-8-10-32(11-9-15)22(33)21-20(39(34,35)18-6-7-18)12-16(14-31-21)25(28,29)30/h3-5,12-15,18,23H,6-11H2,1-2H3
InChIKeyLJUJYNCJGOJXFF-UHFFFAOYSA-N
XLogP4.74
TPSA110.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500610.62
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3-cyclopropylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-[4-[2-[3-(difluoromethoxy)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone 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

CID 11988514
CID 11988514
CID 25255690
CID 25255690
CID 44629258
CID 44629258
CID 45255318
CID 45255318
CID 51042672
CID 51042672
CID 57736408
CID 57736408
CID 58211073
CID 58211073
CID 58211201
CID 58211201
CID 58211399
CID 58211399
CID 58211692
CID 58211692
CID 58348220
CID 58348220
CID 59447111
CID 59447111

Frequently Asked Questions

What is the IUPAC name of [3-cyclopropylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-[4-[2-[3-(difluoromethoxy)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone?
The IUPAC name of [3-cyclopropylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-[4-[2-[3-(difluoromethoxy)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone (CID 25255692) is [3-cyclopropylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-[4-[2-[3-(difluoromethoxy)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [3-cyclopropylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-[4-[2-[3-(difluoromethoxy)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for [3-cyclopropylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-[4-[2-[3-(difluoromethoxy)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone is CC(C)(C1CCN(C(=O)c2ncc(C(F)(F)F)cc2S(=O)(=O)C2CC2)CC1)S(=O)(=O)c1cccc(OC(F)F)c1.
What is the InChIKey of [3-cyclopropylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-[4-[2-[3-(difluoromethoxy)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone?
The InChIKey is LJUJYNCJGOJXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F5N2O6S2/c1-24(2,40(36,37)19-5-3-4-17(13-19)38-23(26)27)15-8-10-32(11-9-15)22(33)21-20(39(34,35)18-6-7-18)12-16(14-31-21)25(28,29)30/h3-5,12-15,18,23H,6-11H2,1-2H3.
What are the key properties of [3-cyclopropylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-[4-[2-[3-(difluoromethoxy)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone?
[3-cyclopropylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-[4-[2-[3-(difluoromethoxy)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone has a molecular weight of 610.62 g/mol, XLogP of 4.74, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-cyclopropylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-[4-[2-[3-(difluoromethoxy)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 25255692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).