6-[4-(4-fluorophenoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide

C16H11FN4O3S2 — CID 10287373

IUPAC6-[4-(4-fluorophenoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
SMILESNS(=O)(=O)c1nn2cc(-c3ccc(Oc4ccc(F)cc4)cc3)nc2s1
InChIInChI=1S/C16H11FN4O3S2/c17-11-3-7-13(8-4-11)24-12-5-1-10(2-6-12)14-9-21-15(19-14)25-16(20-21)26(18,22)23/h1-9H,(H2,18,22,23)
InChIKeyZZJCJXVUNYSIBX-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.04
Rot. Bonds4

About 6-[4-(4-fluorophenoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide

6-[4-(4-fluorophenoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide (PubChem CID 10287373) has the molecular formula C16H11FN4O3S2 and a molecular weight of 390.42 g/mol. Its IUPAC name is 6-[4-(4-fluorophenoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide.

Molecular Properties

Compound Name6-[4-(4-fluorophenoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
PubChem CID10287373
Molecular FormulaC16H11FN4O3S2
Molecular Weight390.42 g/mol
Exact Mass390.03
IUPAC Name6-[4-(4-fluorophenoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
SMILESNS(=O)(=O)c1nn2cc(-c3ccc(Oc4ccc(F)cc4)cc3)nc2s1
InChIInChI=1S/C16H11FN4O3S2/c17-11-3-7-13(8-4-11)24-12-5-1-10(2-6-12)14-9-21-15(19-14)25-16(20-21)26(18,22)23/h1-9H,(H2,18,22,23)
InChIKeyZZJCJXVUNYSIBX-UHFFFAOYSA-N
XLogP3.04
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide?
The IUPAC name of 6-[4-(4-fluorophenoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide (CID 10287373) is 6-[4-(4-fluorophenoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide.
What is the SMILES notation for 6-[4-(4-fluorophenoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide?
The canonical SMILES for 6-[4-(4-fluorophenoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide is NS(=O)(=O)c1nn2cc(-c3ccc(Oc4ccc(F)cc4)cc3)nc2s1.
What is the InChIKey of 6-[4-(4-fluorophenoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide?
The InChIKey is ZZJCJXVUNYSIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O3S2/c17-11-3-7-13(8-4-11)24-12-5-1-10(2-6-12)14-9-21-15(19-14)25-16(20-21)26(18,22)23/h1-9H,(H2,18,22,23).
What are the key properties of 6-[4-(4-fluorophenoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide?
6-[4-(4-fluorophenoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide has a molecular weight of 390.42 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide is sourced from PubChem (CID 10287373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).