4-fluoro-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]benzenesulfonamide

C12H11FN4O2S2 — CID 110873575

IUPAC4-fluoro-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]benzenesulfonamide
SMILESCc1cn2nc(CNS(=O)(=O)c3ccc(F)cc3)sc2n1
InChIInChI=1S/C12H11FN4O2S2/c1-8-7-17-12(15-8)20-11(16-17)6-14-21(18,19)10-4-2-9(13)3-5-10/h2-5,7,14H,6H2,1H3
InChIKeyFQNHALWSSYPUEO-UHFFFAOYSA-N
MW326.38 g/mol
LogP1.72
Rot. Bonds4

About 4-fluoro-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]benzenesulfonamide

4-fluoro-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]benzenesulfonamide (PubChem CID 110873575) has the molecular formula C12H11FN4O2S2 and a molecular weight of 326.38 g/mol. Its IUPAC name is 4-fluoro-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]benzenesulfonamide
PubChem CID110873575
Molecular FormulaC12H11FN4O2S2
Molecular Weight326.38 g/mol
Exact Mass326.03
IUPAC Name4-fluoro-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]benzenesulfonamide
SMILESCc1cn2nc(CNS(=O)(=O)c3ccc(F)cc3)sc2n1
InChIInChI=1S/C12H11FN4O2S2/c1-8-7-17-12(15-8)20-11(16-17)6-14-21(18,19)10-4-2-9(13)3-5-10/h2-5,7,14H,6H2,1H3
InChIKeyFQNHALWSSYPUEO-UHFFFAOYSA-N
XLogP1.72
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]benzenesulfonamide (CID 110873575) is 4-fluoro-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]benzenesulfonamide is Cc1cn2nc(CNS(=O)(=O)c3ccc(F)cc3)sc2n1.
What is the InChIKey of 4-fluoro-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is FQNHALWSSYPUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O2S2/c1-8-7-17-12(15-8)20-11(16-17)6-14-21(18,19)10-4-2-9(13)3-5-10/h2-5,7,14H,6H2,1H3.
What are the key properties of 4-fluoro-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]benzenesulfonamide?
4-fluoro-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 326.38 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110873575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).