4-(4-chloro-2-piperidin-4-ylphenoxy)-2,5-difluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide

C22H19ClF3N3O3S — CID 71716814

IUPAC4-(4-chloro-2-piperidin-4-ylphenoxy)-2,5-difluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cn1)c1cc(F)c(Oc2ccc(Cl)cc2C2CCNCC2)cc1F
InChIInChI=1S/C22H19ClF3N3O3S/c23-14-1-3-19(16(9-14)13-5-7-27-8-6-13)32-20-10-18(26)21(11-17(20)25)33(30,31)29-22-4-2-15(24)12-28-22/h1-4,9-13,27H,5-8H2,(H,28,29)
InChIKeyWORTXXPPFWVXJE-UHFFFAOYSA-N
MW497.93 g/mol
LogP5.21
Rot. Bonds6

About 4-(4-chloro-2-piperidin-4-ylphenoxy)-2,5-difluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide

4-(4-chloro-2-piperidin-4-ylphenoxy)-2,5-difluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide (PubChem CID 71716814) has the molecular formula C22H19ClF3N3O3S and a molecular weight of 497.93 g/mol. Its IUPAC name is 4-(4-chloro-2-piperidin-4-ylphenoxy)-2,5-difluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-chloro-2-piperidin-4-ylphenoxy)-2,5-difluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
PubChem CID71716814
Molecular FormulaC22H19ClF3N3O3S
Molecular Weight497.93 g/mol
Exact Mass497.08
IUPAC Name4-(4-chloro-2-piperidin-4-ylphenoxy)-2,5-difluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cn1)c1cc(F)c(Oc2ccc(Cl)cc2C2CCNCC2)cc1F
InChIInChI=1S/C22H19ClF3N3O3S/c23-14-1-3-19(16(9-14)13-5-7-27-8-6-13)32-20-10-18(26)21(11-17(20)25)33(30,31)29-22-4-2-15(24)12-28-22/h1-4,9-13,27H,5-8H2,(H,28,29)
InChIKeyWORTXXPPFWVXJE-UHFFFAOYSA-N
XLogP5.21
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.93
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-piperidin-4-ylphenoxy)-2,5-difluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-(4-chloro-2-piperidin-4-ylphenoxy)-2,5-difluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide (CID 71716814) is 4-(4-chloro-2-piperidin-4-ylphenoxy)-2,5-difluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-chloro-2-piperidin-4-ylphenoxy)-2,5-difluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-(4-chloro-2-piperidin-4-ylphenoxy)-2,5-difluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide is O=S(=O)(Nc1ccc(F)cn1)c1cc(F)c(Oc2ccc(Cl)cc2C2CCNCC2)cc1F.
What is the InChIKey of 4-(4-chloro-2-piperidin-4-ylphenoxy)-2,5-difluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
The InChIKey is WORTXXPPFWVXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF3N3O3S/c23-14-1-3-19(16(9-14)13-5-7-27-8-6-13)32-20-10-18(26)21(11-17(20)25)33(30,31)29-22-4-2-15(24)12-28-22/h1-4,9-13,27H,5-8H2,(H,28,29).
What are the key properties of 4-(4-chloro-2-piperidin-4-ylphenoxy)-2,5-difluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
4-(4-chloro-2-piperidin-4-ylphenoxy)-2,5-difluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide has a molecular weight of 497.93 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-piperidin-4-ylphenoxy)-2,5-difluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 71716814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).