N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide

C23H22FN3O5S2 — CID 16861575

About N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide

N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 16861575) has the molecular formula C23H22FN3O5S2 and a molecular weight of 503.58 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
• PubChem CID: 16861575
• Molecular Formula: C23H22FN3O5S2
• Molecular Weight: 503.58 g/mol
• Exact Mass: 503.10
• IUPAC Name: N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
• SMILES: O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
• InChI: InChI=1S/C23H22FN3O5S2/c24-17-4-6-18(7-5-17)34(29,30)27-9-1-2-16(13-27)22(28)26-23-25-19(14-33-23)15-3-8-20-21(12-15)32-11-10-31-20/h3-8,12,14,16H,1-2,9-11,13H2,(H,25,26,28)
• InChIKey: SYPJNASIGCGZRR-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 97.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.58
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?

The IUPAC name of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide (CID 16861575) is N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide.

What is the SMILES notation for N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?

The canonical SMILES for N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide is O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1.

What is the InChIKey of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?

The InChIKey is SYPJNASIGCGZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O5S2/c24-17-4-6-18(7-5-17)34(29,30)27-9-1-2-16(13-27)22(28)26-23-25-19(14-33-23)15-3-8-20-21(12-15)32-11-10-31-20/h3-8,12,14,16H,1-2,9-11,13H2,(H,25,26,28).

What are the key properties of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?

N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 503.58 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 16861575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).