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

C22H17FN2O4S2 — CID 71716334

IUPAC2-fluoro-4-[2-(2-methoxyphenyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCOc1ccccc1-c1ccccc1Oc1ccc(S(=O)(=O)Nc2nccs2)c(F)c1
InChIInChI=1S/C22H17FN2O4S2/c1-28-19-8-4-2-6-16(19)17-7-3-5-9-20(17)29-15-10-11-21(18(23)14-15)31(26,27)25-22-24-12-13-30-22/h2-14H,1H3,(H,24,25)
InChIKeyDLFVOXQYODIJES-UHFFFAOYSA-N
MW456.52 g/mol
LogP5.55
Rot. Bonds7

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

2-fluoro-4-[2-(2-methoxyphenyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 71716334) has the molecular formula C22H17FN2O4S2 and a molecular weight of 456.52 g/mol. Its IUPAC name is 2-fluoro-4-[2-(2-methoxyphenyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-4-[2-(2-methoxyphenyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID71716334
Molecular FormulaC22H17FN2O4S2
Molecular Weight456.52 g/mol
Exact Mass456.06
IUPAC Name2-fluoro-4-[2-(2-methoxyphenyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCOc1ccccc1-c1ccccc1Oc1ccc(S(=O)(=O)Nc2nccs2)c(F)c1
InChIInChI=1S/C22H17FN2O4S2/c1-28-19-8-4-2-6-16(19)17-7-3-5-9-20(17)29-15-10-11-21(18(23)14-15)31(26,27)25-22-24-12-13-30-22/h2-14H,1H3,(H,24,25)
InChIKeyDLFVOXQYODIJES-UHFFFAOYSA-N
XLogP5.55
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.52
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[2-(2-methoxyphenyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2-fluoro-4-[2-(2-methoxyphenyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 71716334) is 2-fluoro-4-[2-(2-methoxyphenyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-4-[2-(2-methoxyphenyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-4-[2-(2-methoxyphenyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide is COc1ccccc1-c1ccccc1Oc1ccc(S(=O)(=O)Nc2nccs2)c(F)c1.
What is the InChIKey of 2-fluoro-4-[2-(2-methoxyphenyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is DLFVOXQYODIJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O4S2/c1-28-19-8-4-2-6-16(19)17-7-3-5-9-20(17)29-15-10-11-21(18(23)14-15)31(26,27)25-22-24-12-13-30-22/h2-14H,1H3,(H,24,25).
What are the key properties of 2-fluoro-4-[2-(2-methoxyphenyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
2-fluoro-4-[2-(2-methoxyphenyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 456.52 g/mol, XLogP of 5.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[2-(2-methoxyphenyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 71716334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).