4-[4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]cyclohexyl]-N-pyrimidin-4-ylbenzenesulfonamide

C₂₇H₂₇FN₄O₃S — CID 58215094

About 4-[4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]cyclohexyl]-N-pyrimidin-4-ylbenzenesulfonamide

4-[4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]cyclohexyl]-N-pyrimidin-4-ylbenzenesulfonamide (PubChem CID 58215094) has the molecular formula C₂₇H₂₇FN₄O₃S and a molecular weight of 506.60 g/mol. Its IUPAC name is 4-[4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]cyclohexyl]-N-pyrimidin-4-ylbenzenesulfonamide.

Molecular Properties

• Compound Name: 4-[4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]cyclohexyl]-N-pyrimidin-4-ylbenzenesulfonamide
• PubChem CID: 58215094
• Molecular Formula: C₂₇H₂₇FN₄O₃S
• Molecular Weight: 506.60 g/mol
• Exact Mass: 506.18
• IUPAC Name: 4-[4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]cyclohexyl]-N-pyrimidin-4-ylbenzenesulfonamide
• SMILES: C[C@H](C(=O)C1CCC(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1)n1ccc2c(F)cccc21
• InChI: InChI=1S/C27H27FN4O3S/c1-18(32-16-14-23-24(28)3-2-4-25(23)32)27(33)21-7-5-19(6-8-21)20-9-11-22(12-10-20)36(34,35)31-26-13-15-29-17-30-26/h2-4,9-19,21H,5-8H2,1H3,(H,29,30,31)/t18-,19?,21?/m1/s1
• InChIKey: YDSZDALODFZNIM-LWEYNCJUSA-N
• XLogP: 5.48
• TPSA: 93.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.60
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]cyclohexyl]-N-pyrimidin-4-ylbenzenesulfonamide?

The IUPAC name of 4-[4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]cyclohexyl]-N-pyrimidin-4-ylbenzenesulfonamide (CID 58215094) is 4-[4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]cyclohexyl]-N-pyrimidin-4-ylbenzenesulfonamide.

What is the SMILES notation for 4-[4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]cyclohexyl]-N-pyrimidin-4-ylbenzenesulfonamide?

The canonical SMILES for 4-[4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]cyclohexyl]-N-pyrimidin-4-ylbenzenesulfonamide is C[C@H](C(=O)C1CCC(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1)n1ccc2c(F)cccc21.

What is the InChIKey of 4-[4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]cyclohexyl]-N-pyrimidin-4-ylbenzenesulfonamide?

The InChIKey is YDSZDALODFZNIM-LWEYNCJUSA-N. The full InChI is InChI=1S/C27H27FN4O3S/c1-18(32-16-14-23-24(28)3-2-4-25(23)32)27(33)21-7-5-19(6-8-21)20-9-11-22(12-10-20)36(34,35)31-26-13-15-29-17-30-26/h2-4,9-19,21H,5-8H2,1H3,(H,29,30,31)/t18-,19?,21?/m1/s1.

What are the key properties of 4-[4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]cyclohexyl]-N-pyrimidin-4-ylbenzenesulfonamide?

4-[4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]cyclohexyl]-N-pyrimidin-4-ylbenzenesulfonamide has a molecular weight of 506.60 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]cyclohexyl]-N-pyrimidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 58215094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 58215094 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.