1-(2,5-dichlorophenyl)sulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

C17H20Cl2N4O3S2 — CID 24506364

About 1-(2,5-dichlorophenyl)sulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

1-(2,5-dichlorophenyl)sulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (PubChem CID 24506364) has the molecular formula C17H20Cl2N4O3S2 and a molecular weight of 463.41 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(2,5-dichlorophenyl)sulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
• PubChem CID: 24506364
• Molecular Formula: C17H20Cl2N4O3S2
• Molecular Weight: 463.41 g/mol
• Exact Mass: 462.04
• IUPAC Name: 1-(2,5-dichlorophenyl)sulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
• SMILES: CC(C)c1nnc(NC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)s1
• InChI: InChI=1S/C17H20Cl2N4O3S2/c1-10(2)16-21-22-17(27-16)20-15(24)11-5-7-23(8-6-11)28(25,26)14-9-12(18)3-4-13(14)19/h3-4,9-11H,5-8H2,1-2H3,(H,20,22,24)
• InChIKey: CIKSPEUMLDENGH-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 92.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.41
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?

The IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (CID 24506364) is 1-(2,5-dichlorophenyl)sulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.

What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?

The canonical SMILES for 1-(2,5-dichlorophenyl)sulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is CC(C)c1nnc(NC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)s1.

What is the InChIKey of 1-(2,5-dichlorophenyl)sulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?

The InChIKey is CIKSPEUMLDENGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N4O3S2/c1-10(2)16-21-22-17(27-16)20-15(24)11-5-7-23(8-6-11)28(25,26)14-9-12(18)3-4-13(14)19/h3-4,9-11H,5-8H2,1-2H3,(H,20,22,24).

What are the key properties of 1-(2,5-dichlorophenyl)sulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?

1-(2,5-dichlorophenyl)sulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 463.41 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,5-dichlorophenyl)sulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 24506364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).