(2R,3S)-2,3-bis(4-chlorophenyl)-1-thiophen-3-ylsulfonyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one

C23H16Cl2N2O3S2 — CID 25050415

About (2R,3S)-2,3-bis(4-chlorophenyl)-1-thiophen-3-ylsulfonyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one

(2R,3S)-2,3-bis(4-chlorophenyl)-1-thiophen-3-ylsulfonyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one (PubChem CID 25050415) has the molecular formula C23H16Cl2N2O3S2 and a molecular weight of 503.43 g/mol. Its IUPAC name is (2R,3S)-2,3-bis(4-chlorophenyl)-1-thiophen-3-ylsulfonyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one.

Molecular Properties

• Compound Name: (2R,3S)-2,3-bis(4-chlorophenyl)-1-thiophen-3-ylsulfonyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one
• PubChem CID: 25050415
• Molecular Formula: C23H16Cl2N2O3S2
• Molecular Weight: 503.43 g/mol
• Exact Mass: 502.00
• IUPAC Name: (2R,3S)-2,3-bis(4-chlorophenyl)-1-thiophen-3-ylsulfonyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one
• SMILES: O=c1cccc2n1[C@@H](c1ccc(Cl)cc1)[C@@H](c1ccc(Cl)cc1)N2S(=O)(=O)c1ccsc1
• InChI: InChI=1S/C23H16Cl2N2O3S2/c24-17-8-4-15(5-9-17)22-23(16-6-10-18(25)11-7-16)27(20-2-1-3-21(28)26(20)22)32(29,30)19-12-13-31-14-19/h1-14,22-23H/t22-,23+/m0/s1
• InChIKey: LFNXLKSEAQYXDT-XZOQPEGZSA-N
• XLogP: 5.76
• TPSA: 59.38 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.43
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (2R,3S)-2,3-bis(4-chlorophenyl)-1-thiophen-3-ylsulfonyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one (CID 25050415) is (2R,3S)-2,3-bis(4-chlorophenyl)-1-thiophen-3-ylsulfonyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one.

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

The canonical SMILES for (2R,3S)-2,3-bis(4-chlorophenyl)-1-thiophen-3-ylsulfonyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one is O=c1cccc2n1[C@@H](c1ccc(Cl)cc1)[C@@H](c1ccc(Cl)cc1)N2S(=O)(=O)c1ccsc1.

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

The InChIKey is LFNXLKSEAQYXDT-XZOQPEGZSA-N. The full InChI is InChI=1S/C23H16Cl2N2O3S2/c24-17-8-4-15(5-9-17)22-23(16-6-10-18(25)11-7-16)27(20-2-1-3-21(28)26(20)22)32(29,30)19-12-13-31-14-19/h1-14,22-23H/t22-,23+/m0/s1.

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

(2R,3S)-2,3-bis(4-chlorophenyl)-1-thiophen-3-ylsulfonyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one has a molecular weight of 503.43 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S)-2,3-bis(4-chlorophenyl)-1-thiophen-3-ylsulfonyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one is sourced from PubChem (CID 25050415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).