(2R)-1-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide

C17H23FN4O6S2 — CID 162810420

About (2R)-1-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide

(2R)-1-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide (PubChem CID 162810420) has the molecular formula C17H23FN4O6S2 and a molecular weight of 462.53 g/mol. Its IUPAC name is (2R)-1-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-1-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
• PubChem CID: 162810420
• Molecular Formula: C17H23FN4O6S2
• Molecular Weight: 462.53 g/mol
• Exact Mass: 462.10
• IUPAC Name: (2R)-1-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
• SMILES: CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)[C@@H](C(=O)N[C@@H]2CCCNC2=O)C1
• InChI: InChI=1S/C17H23FN4O6S2/c1-29(25,26)21-9-10-22(30(27,28)13-6-4-12(18)5-7-13)15(11-21)17(24)20-14-3-2-8-19-16(14)23/h4-7,14-15H,2-3,8-11H2,1H3,(H,19,23)(H,20,24)/t14-,15-/m1/s1
• InChIKey: QAZOLWAUGAPSGT-HUUCEWRRSA-N
• XLogP: -1.14
• TPSA: 132.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.53
LogP ≤ 5	-1.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide?

The IUPAC name of (2R)-1-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide (CID 162810420) is (2R)-1-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide.

What is the SMILES notation for (2R)-1-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide?

The canonical SMILES for (2R)-1-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide is CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)[C@@H](C(=O)N[C@@H]2CCCNC2=O)C1.

What is the InChIKey of (2R)-1-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide?

The InChIKey is QAZOLWAUGAPSGT-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H23FN4O6S2/c1-29(25,26)21-9-10-22(30(27,28)13-6-4-12(18)5-7-13)15(11-21)17(24)20-14-3-2-8-19-16(14)23/h4-7,14-15H,2-3,8-11H2,1H3,(H,19,23)(H,20,24)/t14-,15-/m1/s1.

What are the key properties of (2R)-1-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide?

(2R)-1-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide has a molecular weight of 462.53 g/mol, XLogP of -1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide is sourced from PubChem (CID 162810420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).