1-(4-fluorophenyl)sulfonyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-3-carboxamide

C26H24FN3O3S2 — CID 16861454

About 1-(4-fluorophenyl)sulfonyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-3-carboxamide

1-(4-fluorophenyl)sulfonyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-3-carboxamide (PubChem CID 16861454) has the molecular formula C26H24FN3O3S2 and a molecular weight of 509.63 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(4-fluorophenyl)sulfonyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-3-carboxamide
• PubChem CID: 16861454
• Molecular Formula: C26H24FN3O3S2
• Molecular Weight: 509.63 g/mol
• Exact Mass: 509.12
• IUPAC Name: 1-(4-fluorophenyl)sulfonyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-3-carboxamide
• SMILES: Cc1ccc2nc(-c3ccc(NC(=O)C4CCCN(S(=O)(=O)c5ccc(F)cc5)C4)cc3)sc2c1
• InChI: InChI=1S/C26H24FN3O3S2/c1-17-4-13-23-24(15-17)34-26(29-23)18-5-9-21(10-6-18)28-25(31)19-3-2-14-30(16-19)35(32,33)22-11-7-20(27)8-12-22/h4-13,15,19H,2-3,14,16H2,1H3,(H,28,31)
• InChIKey: CCONWQRNTSFAOB-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.63
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-3-carboxamide?

The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-3-carboxamide (CID 16861454) is 1-(4-fluorophenyl)sulfonyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-3-carboxamide.

What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-3-carboxamide?

The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-3-carboxamide is Cc1ccc2nc(-c3ccc(NC(=O)C4CCCN(S(=O)(=O)c5ccc(F)cc5)C4)cc3)sc2c1.

What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-3-carboxamide?

The InChIKey is CCONWQRNTSFAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O3S2/c1-17-4-13-23-24(15-17)34-26(29-23)18-5-9-21(10-6-18)28-25(31)19-3-2-14-30(16-19)35(32,33)22-11-7-20(27)8-12-22/h4-13,15,19H,2-3,14,16H2,1H3,(H,28,31).

What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-3-carboxamide?

1-(4-fluorophenyl)sulfonyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 509.63 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluorophenyl)sulfonyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 16861454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).