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

C12H11FN4O2S2 — CID 110873471

IUPAC4-fluoro-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide
SMILESCc1nn2cc(CNS(=O)(=O)c3ccc(F)cc3)nc2s1
InChIInChI=1S/C12H11FN4O2S2/c1-8-16-17-7-10(15-12(17)20-8)6-14-21(18,19)11-4-2-9(13)3-5-11/h2-5,7,14H,6H2,1H3
InChIKeyXIUZQJUYFUJKJL-UHFFFAOYSA-N
MW326.38 g/mol
LogP1.72
Rot. Bonds4

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

4-fluoro-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide (PubChem CID 110873471) has the molecular formula C12H11FN4O2S2 and a molecular weight of 326.38 g/mol. Its IUPAC name is 4-fluoro-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide
PubChem CID110873471
Molecular FormulaC12H11FN4O2S2
Molecular Weight326.38 g/mol
Exact Mass326.03
IUPAC Name4-fluoro-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide
SMILESCc1nn2cc(CNS(=O)(=O)c3ccc(F)cc3)nc2s1
InChIInChI=1S/C12H11FN4O2S2/c1-8-16-17-7-10(15-12(17)20-8)6-14-21(18,19)11-4-2-9(13)3-5-11/h2-5,7,14H,6H2,1H3
InChIKeyXIUZQJUYFUJKJL-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide (CID 110873471) is 4-fluoro-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide is Cc1nn2cc(CNS(=O)(=O)c3ccc(F)cc3)nc2s1.
What is the InChIKey of 4-fluoro-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide?
The InChIKey is XIUZQJUYFUJKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O2S2/c1-8-16-17-7-10(15-12(17)20-8)6-14-21(18,19)11-4-2-9(13)3-5-11/h2-5,7,14H,6H2,1H3.
What are the key properties of 4-fluoro-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide?
4-fluoro-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-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-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110873471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).