[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidin-1-yl]-pyridin-3-ylmethanone

C23H19ClF2N2O3S — CID 59750901

IUPAC[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC(c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H19ClF2N2O3S/c24-17-3-6-19(7-4-17)32(30,31)23(20-14-18(25)5-8-21(20)26)9-12-28(13-10-23)22(29)16-2-1-11-27-15-16/h1-8,11,14-15H,9-10,12-13H2
InChIKeyLSQGVHJFWQGVNV-UHFFFAOYSA-N
MW476.93 g/mol
LogP4.62
Rot. Bonds4

About [4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidin-1-yl]-pyridin-3-ylmethanone

[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 59750901) has the molecular formula C23H19ClF2N2O3S and a molecular weight of 476.93 g/mol. Its IUPAC name is [4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID59750901
Molecular FormulaC23H19ClF2N2O3S
Molecular Weight476.93 g/mol
Exact Mass476.08
IUPAC Name[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC(c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H19ClF2N2O3S/c24-17-3-6-19(7-4-17)32(30,31)23(20-14-18(25)5-8-21(20)26)9-12-28(13-10-23)22(29)16-2-1-11-27-15-16/h1-8,11,14-15H,9-10,12-13H2
InChIKeyLSQGVHJFWQGVNV-UHFFFAOYSA-N
XLogP4.62
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.93
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidin-1-yl]-pyridin-3-ylmethanone 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 [4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidin-1-yl]-pyridin-3-ylmethanone (CID 59750901) is [4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidin-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCC(c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is LSQGVHJFWQGVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF2N2O3S/c24-17-3-6-19(7-4-17)32(30,31)23(20-14-18(25)5-8-21(20)26)9-12-28(13-10-23)22(29)16-2-1-11-27-15-16/h1-8,11,14-15H,9-10,12-13H2.
What are the key properties of [4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidin-1-yl]-pyridin-3-ylmethanone?
[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 476.93 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 59750901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).