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

C13H13FN4O2S2 — CID 110873476

IUPAC4-fluoro-3-methyl-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide
SMILESCc1nn2cc(CNS(=O)(=O)c3ccc(F)c(C)c3)nc2s1
InChIInChI=1S/C13H13FN4O2S2/c1-8-5-11(3-4-12(8)14)22(19,20)15-6-10-7-18-13(16-10)21-9(2)17-18/h3-5,7,15H,6H2,1-2H3
InChIKeyRFEGVIVCKSIGOS-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.03
Rot. Bonds4

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

4-fluoro-3-methyl-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide (PubChem CID 110873476) has the molecular formula C13H13FN4O2S2 and a molecular weight of 340.41 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide
PubChem CID110873476
Molecular FormulaC13H13FN4O2S2
Molecular Weight340.41 g/mol
Exact Mass340.05
IUPAC Name4-fluoro-3-methyl-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide
SMILESCc1nn2cc(CNS(=O)(=O)c3ccc(F)c(C)c3)nc2s1
InChIInChI=1S/C13H13FN4O2S2/c1-8-5-11(3-4-12(8)14)22(19,20)15-6-10-7-18-13(16-10)21-9(2)17-18/h3-5,7,15H,6H2,1-2H3
InChIKeyRFEGVIVCKSIGOS-UHFFFAOYSA-N
XLogP2.03
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide (CID 110873476) is 4-fluoro-3-methyl-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide is Cc1nn2cc(CNS(=O)(=O)c3ccc(F)c(C)c3)nc2s1.
What is the InChIKey of 4-fluoro-3-methyl-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide?
The InChIKey is RFEGVIVCKSIGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O2S2/c1-8-5-11(3-4-12(8)14)22(19,20)15-6-10-7-18-13(16-10)21-9(2)17-18/h3-5,7,15H,6H2,1-2H3.
What are the key properties of 4-fluoro-3-methyl-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide?
4-fluoro-3-methyl-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide has a molecular weight of 340.41 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110873476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).