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

C21H15FN2O3S2 — CID 71719285

IUPAC3-fluoro-4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1ccc(Oc2ccccc2-c2ccccc2)c(F)c1
InChIInChI=1S/C21H15FN2O3S2/c22-18-14-16(29(25,26)24-21-23-12-13-28-21)10-11-20(18)27-19-9-5-4-8-17(19)15-6-2-1-3-7-15/h1-14H,(H,23,24)
InChIKeyCMAZVZXAPPJPPP-UHFFFAOYSA-N
MW426.49 g/mol
LogP5.54
Rot. Bonds6

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

3-fluoro-4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 71719285) has the molecular formula C21H15FN2O3S2 and a molecular weight of 426.49 g/mol. Its IUPAC name is 3-fluoro-4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID71719285
Molecular FormulaC21H15FN2O3S2
Molecular Weight426.49 g/mol
Exact Mass426.05
IUPAC Name3-fluoro-4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1ccc(Oc2ccccc2-c2ccccc2)c(F)c1
InChIInChI=1S/C21H15FN2O3S2/c22-18-14-16(29(25,26)24-21-23-12-13-28-21)10-11-20(18)27-19-9-5-4-8-17(19)15-6-2-1-3-7-15/h1-14H,(H,23,24)
InChIKeyCMAZVZXAPPJPPP-UHFFFAOYSA-N
XLogP5.54
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.49
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 3-fluoro-4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 71719285) is 3-fluoro-4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nccs1)c1ccc(Oc2ccccc2-c2ccccc2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is CMAZVZXAPPJPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O3S2/c22-18-14-16(29(25,26)24-21-23-12-13-28-21)10-11-20(18)27-19-9-5-4-8-17(19)15-6-2-1-3-7-15/h1-14H,(H,23,24).
What are the key properties of 3-fluoro-4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
3-fluoro-4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 426.49 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 71719285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).