1-(4-chlorophenyl)sulfonyl-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide

C18H15Cl3N4O4S2 — CID 43973074

About 1-(4-chlorophenyl)sulfonyl-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide

1-(4-chlorophenyl)sulfonyl-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide (PubChem CID 43973074) has the molecular formula C18H15Cl3N4O4S2 and a molecular weight of 521.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)sulfonyl-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
• PubChem CID: 43973074
• Molecular Formula: C18H15Cl3N4O4S2
• Molecular Weight: 521.84 g/mol
• Exact Mass: 519.96
• IUPAC Name: 1-(4-chlorophenyl)sulfonyl-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
• SMILES: O=C(Nc1nnc(-c2cc(Cl)sc2Cl)o1)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
• InChI: InChI=1S/C18H15Cl3N4O4S2/c19-11-3-5-12(6-4-11)31(27,28)25-7-1-2-10(9-25)16(26)22-18-24-23-17(29-18)13-8-14(20)30-15(13)21/h3-6,8,10H,1-2,7,9H2,(H,22,24,26)
• InChIKey: JLUMRTOGLCZKGR-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 105.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.84
LogP ≤ 5	4.80
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-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide?

The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide (CID 43973074) is 1-(4-chlorophenyl)sulfonyl-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide.

What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide?

The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide is O=C(Nc1nnc(-c2cc(Cl)sc2Cl)o1)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1.

What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide?

The InChIKey is JLUMRTOGLCZKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl3N4O4S2/c19-11-3-5-12(6-4-11)31(27,28)25-7-1-2-10(9-25)16(26)22-18-24-23-17(29-18)13-8-14(20)30-15(13)21/h3-6,8,10H,1-2,7,9H2,(H,22,24,26).

What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide?

1-(4-chlorophenyl)sulfonyl-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide has a molecular weight of 521.84 g/mol, XLogP of 4.80, 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-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 43973074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).