3-(4-chlorophenyl)sulfonyl-1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one

C25H25ClN2O5S2 — CID 3860145

About 3-(4-chlorophenyl)sulfonyl-1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one

3-(4-chlorophenyl)sulfonyl-1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 3860145) has the molecular formula C25H25ClN2O5S2 and a molecular weight of 533.07 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(4-chlorophenyl)sulfonyl-1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one
• PubChem CID: 3860145
• Molecular Formula: C25H25ClN2O5S2
• Molecular Weight: 533.07 g/mol
• Exact Mass: 532.09
• IUPAC Name: 3-(4-chlorophenyl)sulfonyl-1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one
• SMILES: O=C(CCS(=O)(=O)c1ccc(Cl)cc1)N1CCC(c2nc(-c3ccc4c(c3)OCCO4)cs2)CC1
• InChI: InChI=1S/C25H25ClN2O5S2/c26-19-2-4-20(5-3-19)35(30,31)14-9-24(29)28-10-7-17(8-11-28)25-27-21(16-34-25)18-1-6-22-23(15-18)33-13-12-32-22/h1-6,15-17H,7-14H2
• InChIKey: UFWOUORLDDZFDF-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 85.80 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.07
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one?

The IUPAC name of 3-(4-chlorophenyl)sulfonyl-1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one (CID 3860145) is 3-(4-chlorophenyl)sulfonyl-1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one.

What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one?

The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one is O=C(CCS(=O)(=O)c1ccc(Cl)cc1)N1CCC(c2nc(-c3ccc4c(c3)OCCO4)cs2)CC1.

What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one?

The InChIKey is UFWOUORLDDZFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O5S2/c26-19-2-4-20(5-3-19)35(30,31)14-9-24(29)28-10-7-17(8-11-28)25-27-21(16-34-25)18-1-6-22-23(15-18)33-13-12-32-22/h1-6,15-17H,7-14H2.

What are the key properties of 3-(4-chlorophenyl)sulfonyl-1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one?

3-(4-chlorophenyl)sulfonyl-1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 533.07 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chlorophenyl)sulfonyl-1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 3860145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).