(2R,3S)-2,3-bis(4-chlorophenyl)-1-(2-fluorophenyl)sulfonyl-6-iodo-2,3-dihydroimidazo[1,2-a]pyridin-5-one

C25H16Cl2FIN2O3S — CID 25051588

About (2R,3S)-2,3-bis(4-chlorophenyl)-1-(2-fluorophenyl)sulfonyl-6-iodo-2,3-dihydroimidazo[1,2-a]pyridin-5-one

(2R,3S)-2,3-bis(4-chlorophenyl)-1-(2-fluorophenyl)sulfonyl-6-iodo-2,3-dihydroimidazo[1,2-a]pyridin-5-one (PubChem CID 25051588) has the molecular formula C25H16Cl2FIN2O3S and a molecular weight of 641.29 g/mol. Its IUPAC name is (2R,3S)-2,3-bis(4-chlorophenyl)-1-(2-fluorophenyl)sulfonyl-6-iodo-2,3-dihydroimidazo[1,2-a]pyridin-5-one.

Molecular Properties

• Compound Name: (2R,3S)-2,3-bis(4-chlorophenyl)-1-(2-fluorophenyl)sulfonyl-6-iodo-2,3-dihydroimidazo[1,2-a]pyridin-5-one
• PubChem CID: 25051588
• Molecular Formula: C25H16Cl2FIN2O3S
• Molecular Weight: 641.29 g/mol
• Exact Mass: 639.93
• IUPAC Name: (2R,3S)-2,3-bis(4-chlorophenyl)-1-(2-fluorophenyl)sulfonyl-6-iodo-2,3-dihydroimidazo[1,2-a]pyridin-5-one
• SMILES: O=c1c(I)ccc2n1[C@@H](c1ccc(Cl)cc1)[C@@H](c1ccc(Cl)cc1)N2S(=O)(=O)c1ccccc1F
• InChI: InChI=1S/C25H16Cl2FIN2O3S/c26-17-9-5-15(6-10-17)23-24(16-7-11-18(27)12-8-16)31(22-14-13-20(29)25(32)30(22)23)35(33,34)21-4-2-1-3-19(21)28/h1-14,23-24H/t23-,24+/m0/s1
• InChIKey: HSFRSIWETYSKHO-BJKOFHAPSA-N
• XLogP: 6.44
• TPSA: 59.38 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	641.29
LogP ≤ 5	6.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,3-bis(4-chlorophenyl)-1-(2-fluorophenyl)sulfonyl-6-iodo-2,3-dihydroimidazo[1,2-a]pyridin-5-one?

The IUPAC name of (2R,3S)-2,3-bis(4-chlorophenyl)-1-(2-fluorophenyl)sulfonyl-6-iodo-2,3-dihydroimidazo[1,2-a]pyridin-5-one (CID 25051588) is (2R,3S)-2,3-bis(4-chlorophenyl)-1-(2-fluorophenyl)sulfonyl-6-iodo-2,3-dihydroimidazo[1,2-a]pyridin-5-one.

What is the SMILES notation for (2R,3S)-2,3-bis(4-chlorophenyl)-1-(2-fluorophenyl)sulfonyl-6-iodo-2,3-dihydroimidazo[1,2-a]pyridin-5-one?

The canonical SMILES for (2R,3S)-2,3-bis(4-chlorophenyl)-1-(2-fluorophenyl)sulfonyl-6-iodo-2,3-dihydroimidazo[1,2-a]pyridin-5-one is O=c1c(I)ccc2n1[C@@H](c1ccc(Cl)cc1)[C@@H](c1ccc(Cl)cc1)N2S(=O)(=O)c1ccccc1F.

What is the InChIKey of (2R,3S)-2,3-bis(4-chlorophenyl)-1-(2-fluorophenyl)sulfonyl-6-iodo-2,3-dihydroimidazo[1,2-a]pyridin-5-one?

The InChIKey is HSFRSIWETYSKHO-BJKOFHAPSA-N. The full InChI is InChI=1S/C25H16Cl2FIN2O3S/c26-17-9-5-15(6-10-17)23-24(16-7-11-18(27)12-8-16)31(22-14-13-20(29)25(32)30(22)23)35(33,34)21-4-2-1-3-19(21)28/h1-14,23-24H/t23-,24+/m0/s1.

What are the key properties of (2R,3S)-2,3-bis(4-chlorophenyl)-1-(2-fluorophenyl)sulfonyl-6-iodo-2,3-dihydroimidazo[1,2-a]pyridin-5-one?

(2R,3S)-2,3-bis(4-chlorophenyl)-1-(2-fluorophenyl)sulfonyl-6-iodo-2,3-dihydroimidazo[1,2-a]pyridin-5-one has a molecular weight of 641.29 g/mol, XLogP of 6.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S)-2,3-bis(4-chlorophenyl)-1-(2-fluorophenyl)sulfonyl-6-iodo-2,3-dihydroimidazo[1,2-a]pyridin-5-one is sourced from PubChem (CID 25051588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).