4-[(3S)-3-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

C21H20F2N4O3S2 — CID 160519982

About 4-[(3S)-3-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

4-[(3S)-3-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (PubChem CID 160519982) has the molecular formula C21H20F2N4O3S2 and a molecular weight of 478.55 g/mol. Its IUPAC name is 4-[(3S)-3-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.

Molecular Properties

• Compound Name: 4-[(3S)-3-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
• PubChem CID: 160519982
• Molecular Formula: C21H20F2N4O3S2
• Molecular Weight: 478.55 g/mol
• Exact Mass: 478.09
• IUPAC Name: 4-[(3S)-3-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
• SMILES: O=C1[C@@H](N2CCc3cc(F)c(F)cc32)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H]
• InChI: InChI=1S/C21H18F2N4O3S2.H2/c22-16-11-13-5-8-27(19(13)12-17(16)23)18-6-9-26(20(18)28)14-1-3-15(4-2-14)32(29,30)25-21-24-7-10-31-21;/h1-4,7,10-12,18H,5-6,8-9H2,(H,24,25);1H/t18-;/m0./s1
• InChIKey: QUDKWVFTXUKHRX-FERBBOLQSA-N
• XLogP: 3.64
• TPSA: 82.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.55
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The IUPAC name of 4-[(3S)-3-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (CID 160519982) is 4-[(3S)-3-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.

What is the SMILES notation for 4-[(3S)-3-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The canonical SMILES for 4-[(3S)-3-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is O=C1[C@@H](N2CCc3cc(F)c(F)cc32)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].

What is the InChIKey of 4-[(3S)-3-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The InChIKey is QUDKWVFTXUKHRX-FERBBOLQSA-N. The full InChI is InChI=1S/C21H18F2N4O3S2.H2/c22-16-11-13-5-8-27(19(13)12-17(16)23)18-6-9-26(20(18)28)14-1-3-15(4-2-14)32(29,30)25-21-24-7-10-31-21;/h1-4,7,10-12,18H,5-6,8-9H2,(H,24,25);1H/t18-;/m0./s1.

What are the key properties of 4-[(3S)-3-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

4-[(3S)-3-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen has a molecular weight of 478.55 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3S)-3-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 160519982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).