1-(4-chlorophenyl)sulfonyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

C19H18ClN5O3S2 — CID 55807336

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

1-(4-chlorophenyl)sulfonyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (PubChem CID 55807336) has the molecular formula C19H18ClN5O3S2 and a molecular weight of 463.97 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)sulfonyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
• PubChem CID: 55807336
• Molecular Formula: C19H18ClN5O3S2
• Molecular Weight: 463.97 g/mol
• Exact Mass: 463.05
• IUPAC Name: 1-(4-chlorophenyl)sulfonyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
• SMILES: O=C(Nc1nnc(-c2ccccn2)s1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
• InChI: InChI=1S/C19H18ClN5O3S2/c20-14-4-6-15(7-5-14)30(27,28)25-11-8-13(9-12-25)17(26)22-19-24-23-18(29-19)16-3-1-2-10-21-16/h1-7,10,13H,8-9,11-12H2,(H,22,24,26)
• InChIKey: FIFGPJLIVOXRJS-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 105.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.97
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (CID 55807336) is 1-(4-chlorophenyl)sulfonyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.

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

The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is O=C(Nc1nnc(-c2ccccn2)s1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.

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

The InChIKey is FIFGPJLIVOXRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O3S2/c20-14-4-6-15(7-5-14)30(27,28)25-11-8-13(9-12-25)17(26)22-19-24-23-18(29-19)16-3-1-2-10-21-16/h1-7,10,13H,8-9,11-12H2,(H,22,24,26).

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

1-(4-chlorophenyl)sulfonyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 463.97 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)sulfonyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 55807336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).