3-fluoro-4-[4-fluoro-2-(1H-pyrazol-4-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C18H12F2N4O3S2 — CID 71716210

IUPAC3-fluoro-4-[4-fluoro-2-(1H-pyrazol-4-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1ccc(Oc2ccc(F)cc2-c2cn[nH]c2)c(F)c1
InChIInChI=1S/C18H12F2N4O3S2/c19-12-1-3-16(14(7-12)11-9-22-23-10-11)27-17-4-2-13(8-15(17)20)29(25,26)24-18-21-5-6-28-18/h1-10H,(H,21,24)(H,22,23)
InChIKeyCJRIVRZGDPDMME-UHFFFAOYSA-N
MW434.45 g/mol
LogP4.40
Rot. Bonds6

About 3-fluoro-4-[4-fluoro-2-(1H-pyrazol-4-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide

3-fluoro-4-[4-fluoro-2-(1H-pyrazol-4-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 71716210) has the molecular formula C18H12F2N4O3S2 and a molecular weight of 434.45 g/mol. Its IUPAC name is 3-fluoro-4-[4-fluoro-2-(1H-pyrazol-4-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-[4-fluoro-2-(1H-pyrazol-4-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID71716210
Molecular FormulaC18H12F2N4O3S2
Molecular Weight434.45 g/mol
Exact Mass434.03
IUPAC Name3-fluoro-4-[4-fluoro-2-(1H-pyrazol-4-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1ccc(Oc2ccc(F)cc2-c2cn[nH]c2)c(F)c1
InChIInChI=1S/C18H12F2N4O3S2/c19-12-1-3-16(14(7-12)11-9-22-23-10-11)27-17-4-2-13(8-15(17)20)29(25,26)24-18-21-5-6-28-18/h1-10H,(H,21,24)(H,22,23)
InChIKeyCJRIVRZGDPDMME-UHFFFAOYSA-N
XLogP4.40
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[4-fluoro-2-(1H-pyrazol-4-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 3-fluoro-4-[4-fluoro-2-(1H-pyrazol-4-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 71716210) is 3-fluoro-4-[4-fluoro-2-(1H-pyrazol-4-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-[4-fluoro-2-(1H-pyrazol-4-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-[4-fluoro-2-(1H-pyrazol-4-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nccs1)c1ccc(Oc2ccc(F)cc2-c2cn[nH]c2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[4-fluoro-2-(1H-pyrazol-4-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is CJRIVRZGDPDMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4O3S2/c19-12-1-3-16(14(7-12)11-9-22-23-10-11)27-17-4-2-13(8-15(17)20)29(25,26)24-18-21-5-6-28-18/h1-10H,(H,21,24)(H,22,23).
What are the key properties of 3-fluoro-4-[4-fluoro-2-(1H-pyrazol-4-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
3-fluoro-4-[4-fluoro-2-(1H-pyrazol-4-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 434.45 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[4-fluoro-2-(1H-pyrazol-4-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 71716210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).