3-fluoro-4-(4-phenoxyphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide

C21H15FN2O4S2 — CID 71719933

IUPAC3-fluoro-4-(4-phenoxyphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1ccc(Oc2ccc(Oc3ccccc3)cc2)c(F)c1
InChIInChI=1S/C21H15FN2O4S2/c22-19-14-18(30(25,26)24-21-23-12-13-29-21)10-11-20(19)28-17-8-6-16(7-9-17)27-15-4-2-1-3-5-15/h1-14H,(H,23,24)
InChIKeyLYFGUVJUKMBACW-UHFFFAOYSA-N
MW442.49 g/mol
LogP5.67
Rot. Bonds7

About 3-fluoro-4-(4-phenoxyphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide

3-fluoro-4-(4-phenoxyphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 71719933) has the molecular formula C21H15FN2O4S2 and a molecular weight of 442.49 g/mol. Its IUPAC name is 3-fluoro-4-(4-phenoxyphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-(4-phenoxyphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID71719933
Molecular FormulaC21H15FN2O4S2
Molecular Weight442.49 g/mol
Exact Mass442.05
IUPAC Name3-fluoro-4-(4-phenoxyphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1ccc(Oc2ccc(Oc3ccccc3)cc2)c(F)c1
InChIInChI=1S/C21H15FN2O4S2/c22-19-14-18(30(25,26)24-21-23-12-13-29-21)10-11-20(19)28-17-8-6-16(7-9-17)27-15-4-2-1-3-5-15/h1-14H,(H,23,24)
InChIKeyLYFGUVJUKMBACW-UHFFFAOYSA-N
XLogP5.67
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.49
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-(1,3-thiazol-2-yl)benzene-1-sulfonamide
CID 755965
4-ethoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 868642
3-cyano-4-[2-(3,4-difluorophenyl)-4-fluorophenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71716820
3-cyano-4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71718086
4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71719229
2-fluoro-4-(4-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71719232
3-fluoro-4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71719285
3-cyano-4-[4-fluoro-2-(4-fluorophenyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71719288
2-fluoro-4-(3-phenoxyazetidin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 145979583
2-fluoro-4-[2-(2-methoxyphenyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71716334
N-(5-chloro-1,3-thiazol-2-yl)-3-fluoro-4-(2-phenylphenoxy)benzenesulfonamide
CID 71716935
3-methyl-4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71716937

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(4-phenoxyphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 3-fluoro-4-(4-phenoxyphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 71719933) is 3-fluoro-4-(4-phenoxyphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-(4-phenoxyphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-(4-phenoxyphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nccs1)c1ccc(Oc2ccc(Oc3ccccc3)cc2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(4-phenoxyphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is LYFGUVJUKMBACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O4S2/c22-19-14-18(30(25,26)24-21-23-12-13-29-21)10-11-20(19)28-17-8-6-16(7-9-17)27-15-4-2-1-3-5-15/h1-14H,(H,23,24).
What are the key properties of 3-fluoro-4-(4-phenoxyphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
3-fluoro-4-(4-phenoxyphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 442.49 g/mol, XLogP of 5.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(4-phenoxyphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 71719933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).