N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C18H15FN2O4S2 — CID 71897184

About N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 71897184) has the molecular formula C18H15FN2O4S2 and a molecular weight of 406.46 g/mol. Its IUPAC name is N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

• Compound Name: N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
• PubChem CID: 71897184
• Molecular Formula: C18H15FN2O4S2
• Molecular Weight: 406.46 g/mol
• Exact Mass: 406.05
• IUPAC Name: N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
• SMILES: O=S(=O)(Nc1ncc(Cc2cccc(F)c2)s1)c1ccc2c(c1)OCCO2
• InChI: InChI=1S/C18H15FN2O4S2/c19-13-3-1-2-12(8-13)9-14-11-20-18(26-14)21-27(22,23)15-4-5-16-17(10-15)25-7-6-24-16/h1-5,8,10-11H,6-7,9H2,(H,20,21)
• InChIKey: PSRXSWXCXLZIQL-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 77.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.46
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?

The IUPAC name of N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 71897184) is N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

What is the SMILES notation for N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?

The canonical SMILES for N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is O=S(=O)(Nc1ncc(Cc2cccc(F)c2)s1)c1ccc2c(c1)OCCO2.

What is the InChIKey of N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?

The InChIKey is PSRXSWXCXLZIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O4S2/c19-13-3-1-2-12(8-13)9-14-11-20-18(26-14)21-27(22,23)15-4-5-16-17(10-15)25-7-6-24-16/h1-5,8,10-11H,6-7,9H2,(H,20,21).

What are the key properties of N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?

N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 406.46 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 71897184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).