(7R)-7-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one

C20H16ClNO3S2 — CID 95055251

About (7R)-7-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one

(7R)-7-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 95055251) has the molecular formula C20H16ClNO3S2 and a molecular weight of 417.94 g/mol. Its IUPAC name is (7R)-7-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

• Compound Name: (7R)-7-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
• PubChem CID: 95055251
• Molecular Formula: C20H16ClNO3S2
• Molecular Weight: 417.94 g/mol
• Exact Mass: 417.03
• IUPAC Name: (7R)-7-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
• SMILES: Cc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@@H]3c2ccc(Cl)cc2)cc1
• InChI: InChI=1S/C20H16ClNO3S2/c1-12-2-8-15(9-3-12)27(24,25)17-11-26-20-16(10-18(23)22-19(17)20)13-4-6-14(21)7-5-13/h2-9,11,16H,10H2,1H3,(H,22,23)/t16-/m1/s1
• InChIKey: IHLWWWCUJJAMGC-MRXNPFEDSA-N
• XLogP: 5.02
• TPSA: 63.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	417.94
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (7R)-7-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?

The IUPAC name of (7R)-7-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 95055251) is (7R)-7-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

What is the SMILES notation for (7R)-7-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?

The canonical SMILES for (7R)-7-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is Cc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@@H]3c2ccc(Cl)cc2)cc1.

What is the InChIKey of (7R)-7-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?

The InChIKey is IHLWWWCUJJAMGC-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H16ClNO3S2/c1-12-2-8-15(9-3-12)27(24,25)17-11-26-20-16(10-18(23)22-19(17)20)13-4-6-14(21)7-5-13/h2-9,11,16H,10H2,1H3,(H,22,23)/t16-/m1/s1.

What are the key properties of (7R)-7-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?

(7R)-7-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 417.94 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-7-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 95055251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).