1-(4-chlorophenyl)sulfonyl-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]piperidine-4-carboxamide

C22H23ClFN3O4S2 — CID 42523298

About 1-(4-chlorophenyl)sulfonyl-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]piperidine-4-carboxamide

1-(4-chlorophenyl)sulfonyl-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]piperidine-4-carboxamide (PubChem CID 42523298) has the molecular formula C22H23ClFN3O4S2 and a molecular weight of 512.03 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)sulfonyl-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]piperidine-4-carboxamide
• PubChem CID: 42523298
• Molecular Formula: C22H23ClFN3O4S2
• Molecular Weight: 512.03 g/mol
• Exact Mass: 511.08
• IUPAC Name: 1-(4-chlorophenyl)sulfonyl-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]piperidine-4-carboxamide
• SMILES: COCCn1/c(=N/C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)sc2cc(F)ccc21
• InChI: InChI=1S/C22H23ClFN3O4S2/c1-31-13-12-27-19-7-4-17(24)14-20(19)32-22(27)25-21(28)15-8-10-26(11-9-15)33(29,30)18-5-2-16(23)3-6-18/h2-7,14-15H,8-13H2,1H3/b25-22-
• InChIKey: MVIZDFQKRJPHCS-LVWGJNHUSA-N
• XLogP: 3.67
• TPSA: 80.97 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.03
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]piperidine-4-carboxamide?

The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]piperidine-4-carboxamide (CID 42523298) is 1-(4-chlorophenyl)sulfonyl-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]piperidine-4-carboxamide.

What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]piperidine-4-carboxamide?

The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]piperidine-4-carboxamide is COCCn1/c(=N/C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)sc2cc(F)ccc21.

What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]piperidine-4-carboxamide?

The InChIKey is MVIZDFQKRJPHCS-LVWGJNHUSA-N. The full InChI is InChI=1S/C22H23ClFN3O4S2/c1-31-13-12-27-19-7-4-17(24)14-20(19)32-22(27)25-21(28)15-8-10-26(11-9-15)33(29,30)18-5-2-16(23)3-6-18/h2-7,14-15H,8-13H2,1H3/b25-22-.

What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]piperidine-4-carboxamide?

1-(4-chlorophenyl)sulfonyl-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]piperidine-4-carboxamide has a molecular weight of 512.03 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)sulfonyl-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]piperidine-4-carboxamide is sourced from PubChem (CID 42523298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).