4-[4-(4-fluorophenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]benzenesulfonamide

C20H14FN3O2S2 — CID 22912119

IUPAC4-[4-(4-fluorophenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2sc(-c3ccncc3)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C20H14FN3O2S2/c21-16-5-1-13(2-6-16)18-19(14-3-7-17(8-4-14)28(22,25)26)27-20(24-18)15-9-11-23-12-10-15/h1-12H,(H2,22,25,26)
InChIKeyKSHUUJNHHXGXFN-UHFFFAOYSA-N
MW411.48 g/mol
LogP4.33
Rot. Bonds4

About 4-[4-(4-fluorophenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]benzenesulfonamide

4-[4-(4-fluorophenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]benzenesulfonamide (PubChem CID 22912119) has the molecular formula C20H14FN3O2S2 and a molecular weight of 411.48 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]benzenesulfonamide
PubChem CID22912119
Molecular FormulaC20H14FN3O2S2
Molecular Weight411.48 g/mol
Exact Mass411.05
IUPAC Name4-[4-(4-fluorophenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2sc(-c3ccncc3)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C20H14FN3O2S2/c21-16-5-1-13(2-6-16)18-19(14-3-7-17(8-4-14)28(22,25)26)27-20(24-18)15-9-11-23-12-10-15/h1-12H,(H2,22,25,26)
InChIKeyKSHUUJNHHXGXFN-UHFFFAOYSA-N
XLogP4.33
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(4-fluorophenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]benzenesulfonamide (CID 22912119) is 4-[4-(4-fluorophenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(4-fluorophenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2sc(-c3ccncc3)nc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]benzenesulfonamide?
The InChIKey is KSHUUJNHHXGXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O2S2/c21-16-5-1-13(2-6-16)18-19(14-3-7-17(8-4-14)28(22,25)26)27-20(24-18)15-9-11-23-12-10-15/h1-12H,(H2,22,25,26).
What are the key properties of 4-[4-(4-fluorophenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]benzenesulfonamide?
4-[4-(4-fluorophenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]benzenesulfonamide has a molecular weight of 411.48 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 22912119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).