4-[1-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide

C26H26FN5O3S — CID 58215321

IUPAC4-[1-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide
SMILESC[C@@H](C(=O)N1CCC(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1)n1ccc2c(F)cccc21
InChIInChI=1S/C26H26FN5O3S/c1-18(32-16-12-22-23(27)3-2-4-24(22)32)26(33)31-14-10-20(11-15-31)19-5-7-21(8-6-19)36(34,35)30-25-9-13-28-17-29-25/h2-9,12-13,16-18,20H,10-11,14-15H2,1H3,(H,28,29,30)/t18-/m0/s1
InChIKeyGZJJCFBIJJVSAO-SFHVURJKSA-N
MW507.59 g/mol
LogP4.34
Rot. Bonds6

About 4-[1-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide

4-[1-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide (PubChem CID 58215321) has the molecular formula C26H26FN5O3S and a molecular weight of 507.59 g/mol. Its IUPAC name is 4-[1-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[1-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide
PubChem CID58215321
Molecular FormulaC26H26FN5O3S
Molecular Weight507.59 g/mol
Exact Mass507.17
IUPAC Name4-[1-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide
SMILESC[C@@H](C(=O)N1CCC(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1)n1ccc2c(F)cccc21
InChIInChI=1S/C26H26FN5O3S/c1-18(32-16-12-22-23(27)3-2-4-24(22)32)26(33)31-14-10-20(11-15-31)19-5-7-21(8-6-19)36(34,35)30-25-9-13-28-17-29-25/h2-9,12-13,16-18,20H,10-11,14-15H2,1H3,(H,28,29,30)/t18-/m0/s1
InChIKeyGZJJCFBIJJVSAO-SFHVURJKSA-N
XLogP4.34
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.59
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[1-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide?
The IUPAC name of 4-[1-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide (CID 58215321) is 4-[1-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide.
What is the SMILES notation for 4-[1-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide?
The canonical SMILES for 4-[1-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide is C[C@@H](C(=O)N1CCC(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1)n1ccc2c(F)cccc21.
What is the InChIKey of 4-[1-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide?
The InChIKey is GZJJCFBIJJVSAO-SFHVURJKSA-N. The full InChI is InChI=1S/C26H26FN5O3S/c1-18(32-16-12-22-23(27)3-2-4-24(22)32)26(33)31-14-10-20(11-15-31)19-5-7-21(8-6-19)36(34,35)30-25-9-13-28-17-29-25/h2-9,12-13,16-18,20H,10-11,14-15H2,1H3,(H,28,29,30)/t18-/m0/s1.
What are the key properties of 4-[1-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide?
4-[1-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide has a molecular weight of 507.59 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-yl]-N-pyrimidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 58215321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).