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

C22H19Cl2F2N3O3S — CID 71719304

IUPAC5-chloro-4-(4-chloro-2-piperidin-4-ylphenoxy)-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cn1)c1cc(Cl)c(Oc2ccc(Cl)cc2C2CCNCC2)cc1F
InChIInChI=1S/C22H19Cl2F2N3O3S/c23-14-1-3-19(16(9-14)13-5-7-27-8-6-13)32-20-11-18(26)21(10-17(20)24)33(30,31)29-22-4-2-15(25)12-28-22/h1-4,9-13,27H,5-8H2,(H,28,29)
InChIKeyKFEQQQDAVHORNC-UHFFFAOYSA-N
MW514.38 g/mol
LogP5.73
Rot. Bonds6

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

5-chloro-4-(4-chloro-2-piperidin-4-ylphenoxy)-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide (PubChem CID 71719304) has the molecular formula C22H19Cl2F2N3O3S and a molecular weight of 514.38 g/mol. Its IUPAC name is 5-chloro-4-(4-chloro-2-piperidin-4-ylphenoxy)-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-4-(4-chloro-2-piperidin-4-ylphenoxy)-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
PubChem CID71719304
Molecular FormulaC22H19Cl2F2N3O3S
Molecular Weight514.38 g/mol
Exact Mass513.05
IUPAC Name5-chloro-4-(4-chloro-2-piperidin-4-ylphenoxy)-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cn1)c1cc(Cl)c(Oc2ccc(Cl)cc2C2CCNCC2)cc1F
InChIInChI=1S/C22H19Cl2F2N3O3S/c23-14-1-3-19(16(9-14)13-5-7-27-8-6-13)32-20-11-18(26)21(10-17(20)24)33(30,31)29-22-4-2-15(25)12-28-22/h1-4,9-13,27H,5-8H2,(H,28,29)
InChIKeyKFEQQQDAVHORNC-UHFFFAOYSA-N
XLogP5.73
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.38
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-chloro-2-piperidin-4-ylphenoxy)-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 5-chloro-4-(4-chloro-2-piperidin-4-ylphenoxy)-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide (CID 71719304) is 5-chloro-4-(4-chloro-2-piperidin-4-ylphenoxy)-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-4-(4-chloro-2-piperidin-4-ylphenoxy)-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-4-(4-chloro-2-piperidin-4-ylphenoxy)-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide is O=S(=O)(Nc1ccc(F)cn1)c1cc(Cl)c(Oc2ccc(Cl)cc2C2CCNCC2)cc1F.
What is the InChIKey of 5-chloro-4-(4-chloro-2-piperidin-4-ylphenoxy)-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
The InChIKey is KFEQQQDAVHORNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2F2N3O3S/c23-14-1-3-19(16(9-14)13-5-7-27-8-6-13)32-20-11-18(26)21(10-17(20)24)33(30,31)29-22-4-2-15(25)12-28-22/h1-4,9-13,27H,5-8H2,(H,28,29).
What are the key properties of 5-chloro-4-(4-chloro-2-piperidin-4-ylphenoxy)-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
5-chloro-4-(4-chloro-2-piperidin-4-ylphenoxy)-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide has a molecular weight of 514.38 g/mol, XLogP of 5.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-chloro-2-piperidin-4-ylphenoxy)-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 71719304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).