4-[(3S)-3-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C20H19N5O3S2 — CID 59465843

About 4-[(3S)-3-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[(3S)-3-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 59465843) has the molecular formula C20H19N5O3S2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 4-[(3S)-3-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: 4-[(3S)-3-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
• PubChem CID: 59465843
• Molecular Formula: C20H19N5O3S2
• Molecular Weight: 441.54 g/mol
• Exact Mass: 441.09
• IUPAC Name: 4-[(3S)-3-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
• SMILES: O=C1[C@@H](N2CCc3cccnc32)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1
• InChI: InChI=1S/C20H19N5O3S2/c26-19-17(25-11-7-14-2-1-9-21-18(14)25)8-12-24(19)15-3-5-16(6-4-15)30(27,28)23-20-22-10-13-29-20/h1-6,9-10,13,17H,7-8,11-12H2,(H,22,23)/t17-/m0/s1
• InChIKey: LOUJUUSFPIDUHK-KRWDZBQOSA-N
• XLogP: 2.51
• TPSA: 95.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.54
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The IUPAC name of 4-[(3S)-3-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 59465843) is 4-[(3S)-3-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

What is the SMILES notation for 4-[(3S)-3-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The canonical SMILES for 4-[(3S)-3-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=C1[C@@H](N2CCc3cccnc32)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.

What is the InChIKey of 4-[(3S)-3-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The InChIKey is LOUJUUSFPIDUHK-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H19N5O3S2/c26-19-17(25-11-7-14-2-1-9-21-18(14)25)8-12-24(19)15-3-5-16(6-4-15)30(27,28)23-20-22-10-13-29-20/h1-6,9-10,13,17H,7-8,11-12H2,(H,22,23)/t17-/m0/s1.

What are the key properties of 4-[(3S)-3-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

4-[(3S)-3-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 441.54 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3S)-3-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 59465843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).