3-chloro-N-[3-oxo-3-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]propyl]benzenesulfonamide

C22H29ClN4O4S2 — CID 90617703

About 3-chloro-N-[3-oxo-3-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]propyl]benzenesulfonamide

3-chloro-N-[3-oxo-3-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]propyl]benzenesulfonamide (PubChem CID 90617703) has the molecular formula C22H29ClN4O4S2 and a molecular weight of 513.09 g/mol. Its IUPAC name is 3-chloro-N-[3-oxo-3-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]propyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 3-chloro-N-[3-oxo-3-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]propyl]benzenesulfonamide
• PubChem CID: 90617703
• Molecular Formula: C22H29ClN4O4S2
• Molecular Weight: 513.09 g/mol
• Exact Mass: 512.13
• IUPAC Name: 3-chloro-N-[3-oxo-3-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]propyl]benzenesulfonamide
• SMILES: O=C(CCNS(=O)(=O)c1cccc(Cl)c1)N1CCC(N2CCC(Oc3nccs3)CC2)CC1
• InChI: InChI=1S/C22H29ClN4O4S2/c23-17-2-1-3-20(16-17)33(29,30)25-9-4-21(28)27-11-5-18(6-12-27)26-13-7-19(8-14-26)31-22-24-10-15-32-22/h1-3,10,15-16,18-19,25H,4-9,11-14H2
• InChIKey: CHAODNUTLLFILJ-UHFFFAOYSA-N
• XLogP: 3.00
• TPSA: 91.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.09
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-oxo-3-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]propyl]benzenesulfonamide?

The IUPAC name of 3-chloro-N-[3-oxo-3-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]propyl]benzenesulfonamide (CID 90617703) is 3-chloro-N-[3-oxo-3-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]propyl]benzenesulfonamide.

What is the SMILES notation for 3-chloro-N-[3-oxo-3-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]propyl]benzenesulfonamide?

The canonical SMILES for 3-chloro-N-[3-oxo-3-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]propyl]benzenesulfonamide is O=C(CCNS(=O)(=O)c1cccc(Cl)c1)N1CCC(N2CCC(Oc3nccs3)CC2)CC1.

What is the InChIKey of 3-chloro-N-[3-oxo-3-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]propyl]benzenesulfonamide?

The InChIKey is CHAODNUTLLFILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN4O4S2/c23-17-2-1-3-20(16-17)33(29,30)25-9-4-21(28)27-11-5-18(6-12-27)26-13-7-19(8-14-26)31-22-24-10-15-32-22/h1-3,10,15-16,18-19,25H,4-9,11-14H2.

What are the key properties of 3-chloro-N-[3-oxo-3-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]propyl]benzenesulfonamide?

3-chloro-N-[3-oxo-3-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]propyl]benzenesulfonamide has a molecular weight of 513.09 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[3-oxo-3-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]propyl]benzenesulfonamide is sourced from PubChem (CID 90617703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).