5-chloro-2-fluoro-N-(5-fluoro-2-pyridinyl)-4-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]benzenesulfonamide

C23H19ClF5N3O3S — CID 46841214

IUPAC5-chloro-2-fluoro-N-(5-fluoro-2-pyridinyl)-4-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cn1)c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2C2CCNCC2)cc1F
InChIInChI=1S/C23H19ClF5N3O3S/c24-17-10-21(36(33,34)32-22-4-2-15(25)12-31-22)18(26)11-20(17)35-19-3-1-14(23(27,28)29)9-16(19)13-5-7-30-8-6-13/h1-4,9-13,30H,5-8H2,(H,31,32)
InChIKeyYRXWVDILLKORDJ-UHFFFAOYSA-N
MW547.93 g/mol
LogP6.09
Rot. Bonds6

About 5-chloro-2-fluoro-N-(5-fluoro-2-pyridinyl)-4-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]benzenesulfonamide

5-chloro-2-fluoro-N-(5-fluoro-2-pyridinyl)-4-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]benzenesulfonamide (PubChem CID 46841214) has the molecular formula C23H19ClF5N3O3S and a molecular weight of 547.93 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-(5-fluoro-2-pyridinyl)-4-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-(5-fluoro-2-pyridinyl)-4-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]benzenesulfonamide
PubChem CID46841214
Molecular FormulaC23H19ClF5N3O3S
Molecular Weight547.93 g/mol
Exact Mass547.08
IUPAC Name5-chloro-2-fluoro-N-(5-fluoro-2-pyridinyl)-4-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cn1)c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2C2CCNCC2)cc1F
InChIInChI=1S/C23H19ClF5N3O3S/c24-17-10-21(36(33,34)32-22-4-2-15(25)12-31-22)18(26)11-20(17)35-19-3-1-14(23(27,28)29)9-16(19)13-5-7-30-8-6-13/h1-4,9-13,30H,5-8H2,(H,31,32)
InChIKeyYRXWVDILLKORDJ-UHFFFAOYSA-N
XLogP6.09
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.93
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-2-fluoro-N-(5-fluoro-2-pyridinyl)-4-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]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 5-chloro-2-fluoro-N-(5-fluoro-2-pyridinyl)-4-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]benzenesulfonamide?
The IUPAC name of 5-chloro-2-fluoro-N-(5-fluoro-2-pyridinyl)-4-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]benzenesulfonamide (CID 46841214) is 5-chloro-2-fluoro-N-(5-fluoro-2-pyridinyl)-4-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-(5-fluoro-2-pyridinyl)-4-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-fluoro-N-(5-fluoro-2-pyridinyl)-4-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]benzenesulfonamide is O=S(=O)(Nc1ccc(F)cn1)c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2C2CCNCC2)cc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-(5-fluoro-2-pyridinyl)-4-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]benzenesulfonamide?
The InChIKey is YRXWVDILLKORDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF5N3O3S/c24-17-10-21(36(33,34)32-22-4-2-15(25)12-31-22)18(26)11-20(17)35-19-3-1-14(23(27,28)29)9-16(19)13-5-7-30-8-6-13/h1-4,9-13,30H,5-8H2,(H,31,32).
What are the key properties of 5-chloro-2-fluoro-N-(5-fluoro-2-pyridinyl)-4-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]benzenesulfonamide?
5-chloro-2-fluoro-N-(5-fluoro-2-pyridinyl)-4-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]benzenesulfonamide has a molecular weight of 547.93 g/mol, XLogP of 6.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-(5-fluoro-2-pyridinyl)-4-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]benzenesulfonamide is sourced from PubChem (CID 46841214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).