2,5-difluoro-N-[2-fluoro-3-(1-piperidin-4-yl-4-pyridin-4-ylpyrazol-3-yl)phenyl]benzenesulfonamide

C25H22F3N5O2S — CID 86693825

IUPAC2,5-difluoro-N-[2-fluoro-3-(1-piperidin-4-yl-4-pyridin-4-ylpyrazol-3-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2nn(C3CCNCC3)cc2-c2ccncc2)c1F)c1cc(F)ccc1F
InChIInChI=1S/C25H22F3N5O2S/c26-17-4-5-21(27)23(14-17)36(34,35)32-22-3-1-2-19(24(22)28)25-20(16-6-10-29-11-7-16)15-33(31-25)18-8-12-30-13-9-18/h1-7,10-11,14-15,18,30,32H,8-9,12-13H2
InChIKeyKIEDQGWMTAOMPH-UHFFFAOYSA-N
MW513.55 g/mol
LogP4.75
Rot. Bonds6

About 2,5-difluoro-N-[2-fluoro-3-(1-piperidin-4-yl-4-pyridin-4-ylpyrazol-3-yl)phenyl]benzenesulfonamide

2,5-difluoro-N-[2-fluoro-3-(1-piperidin-4-yl-4-pyridin-4-ylpyrazol-3-yl)phenyl]benzenesulfonamide (PubChem CID 86693825) has the molecular formula C25H22F3N5O2S and a molecular weight of 513.55 g/mol. Its IUPAC name is 2,5-difluoro-N-[2-fluoro-3-(1-piperidin-4-yl-4-pyridin-4-ylpyrazol-3-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[2-fluoro-3-(1-piperidin-4-yl-4-pyridin-4-ylpyrazol-3-yl)phenyl]benzenesulfonamide
PubChem CID86693825
Molecular FormulaC25H22F3N5O2S
Molecular Weight513.55 g/mol
Exact Mass513.14
IUPAC Name2,5-difluoro-N-[2-fluoro-3-(1-piperidin-4-yl-4-pyridin-4-ylpyrazol-3-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2nn(C3CCNCC3)cc2-c2ccncc2)c1F)c1cc(F)ccc1F
InChIInChI=1S/C25H22F3N5O2S/c26-17-4-5-21(27)23(14-17)36(34,35)32-22-3-1-2-19(24(22)28)25-20(16-6-10-29-11-7-16)15-33(31-25)18-8-12-30-13-9-18/h1-7,10-11,14-15,18,30,32H,8-9,12-13H2
InChIKeyKIEDQGWMTAOMPH-UHFFFAOYSA-N
XLogP4.75
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.55
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,5-difluoro-N-[2-fluoro-3-(1-piperidin-4-yl-4-pyridin-4-ylpyrazol-3-yl)phenyl]benzenesulfonamide 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 2,5-difluoro-N-[2-fluoro-3-(1-piperidin-4-yl-4-pyridin-4-ylpyrazol-3-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[2-fluoro-3-(1-piperidin-4-yl-4-pyridin-4-ylpyrazol-3-yl)phenyl]benzenesulfonamide (CID 86693825) is 2,5-difluoro-N-[2-fluoro-3-(1-piperidin-4-yl-4-pyridin-4-ylpyrazol-3-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[2-fluoro-3-(1-piperidin-4-yl-4-pyridin-4-ylpyrazol-3-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[2-fluoro-3-(1-piperidin-4-yl-4-pyridin-4-ylpyrazol-3-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(-c2nn(C3CCNCC3)cc2-c2ccncc2)c1F)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[2-fluoro-3-(1-piperidin-4-yl-4-pyridin-4-ylpyrazol-3-yl)phenyl]benzenesulfonamide?
The InChIKey is KIEDQGWMTAOMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O2S/c26-17-4-5-21(27)23(14-17)36(34,35)32-22-3-1-2-19(24(22)28)25-20(16-6-10-29-11-7-16)15-33(31-25)18-8-12-30-13-9-18/h1-7,10-11,14-15,18,30,32H,8-9,12-13H2.
What are the key properties of 2,5-difluoro-N-[2-fluoro-3-(1-piperidin-4-yl-4-pyridin-4-ylpyrazol-3-yl)phenyl]benzenesulfonamide?
2,5-difluoro-N-[2-fluoro-3-(1-piperidin-4-yl-4-pyridin-4-ylpyrazol-3-yl)phenyl]benzenesulfonamide has a molecular weight of 513.55 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[2-fluoro-3-(1-piperidin-4-yl-4-pyridin-4-ylpyrazol-3-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 86693825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).