5-chloro-4-[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide

C23H16ClF5N4O3S — CID 71716341

IUPAC5-chloro-4-[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
SMILESCCn1nc(C(F)(F)F)cc1-c1ccc(Oc2cc(F)c(S(=O)(=O)Nc3ccc(F)cn3)cc2Cl)cc1
InChIInChI=1S/C23H16ClF5N4O3S/c1-2-33-18(11-21(31-33)23(27,28)29)13-3-6-15(7-4-13)36-19-10-17(26)20(9-16(19)24)37(34,35)32-22-8-5-14(25)12-30-22/h3-12H,2H2,1H3,(H,30,32)
InChIKeyAXAIXMYUOZHQIO-UHFFFAOYSA-N
MW558.92 g/mol
LogP6.51
Rot. Bonds7

About 5-chloro-4-[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide

5-chloro-4-[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide (PubChem CID 71716341) has the molecular formula C23H16ClF5N4O3S and a molecular weight of 558.92 g/mol. Its IUPAC name is 5-chloro-4-[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-4-[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
PubChem CID71716341
Molecular FormulaC23H16ClF5N4O3S
Molecular Weight558.92 g/mol
Exact Mass558.06
IUPAC Name5-chloro-4-[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
SMILESCCn1nc(C(F)(F)F)cc1-c1ccc(Oc2cc(F)c(S(=O)(=O)Nc3ccc(F)cn3)cc2Cl)cc1
InChIInChI=1S/C23H16ClF5N4O3S/c1-2-33-18(11-21(31-33)23(27,28)29)13-3-6-15(7-4-13)36-19-10-17(26)20(9-16(19)24)37(34,35)32-22-8-5-14(25)12-30-22/h3-12H,2H2,1H3,(H,30,32)
InChIKeyAXAIXMYUOZHQIO-UHFFFAOYSA-N
XLogP6.51
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.92
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-4-[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]-2-fluoro-N-(5-fluoro-2-pyridinyl)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-4-[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 5-chloro-4-[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide (CID 71716341) is 5-chloro-4-[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-4-[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-4-[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide is CCn1nc(C(F)(F)F)cc1-c1ccc(Oc2cc(F)c(S(=O)(=O)Nc3ccc(F)cn3)cc2Cl)cc1.
What is the InChIKey of 5-chloro-4-[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
The InChIKey is AXAIXMYUOZHQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF5N4O3S/c1-2-33-18(11-21(31-33)23(27,28)29)13-3-6-15(7-4-13)36-19-10-17(26)20(9-16(19)24)37(34,35)32-22-8-5-14(25)12-30-22/h3-12H,2H2,1H3,(H,30,32).
What are the key properties of 5-chloro-4-[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
5-chloro-4-[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide has a molecular weight of 558.92 g/mol, XLogP of 6.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 71716341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).