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

C21H20Cl2N4O3S2 — CID 158878992

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

4-[(3S)-3-(4,5-dichloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (PubChem CID 158878992) has the molecular formula C21H20Cl2N4O3S2 and a molecular weight of 511.46 g/mol. Its IUPAC name is 4-[(3S)-3-(4,5-dichloro-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-(4,5-dichloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
• PubChem CID: 158878992
• Molecular Formula: C21H20Cl2N4O3S2
• Molecular Weight: 511.46 g/mol
• Exact Mass: 510.04
• IUPAC Name: 4-[(3S)-3-(4,5-dichloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
• SMILES: O=C1[C@@H](N2CCc3c2ccc(Cl)c3Cl)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H]
• InChI: InChI=1S/C21H18Cl2N4O3S2.H2/c22-16-5-6-17-15(19(16)23)7-10-27(17)18-8-11-26(20(18)28)13-1-3-14(4-2-13)32(29,30)25-21-24-9-12-31-21;/h1-6,9,12,18H,7-8,10-11H2,(H,24,25);1H/t18-;/m0./s1
• InChIKey: JCUKQGIAAGDQOB-FERBBOLQSA-N
• XLogP: 4.66
• TPSA: 82.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.46
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-(4,5-dichloro-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-(4,5-dichloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (CID 158878992) is 4-[(3S)-3-(4,5-dichloro-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-(4,5-dichloro-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-(4,5-dichloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is O=C1[C@@H](N2CCc3c2ccc(Cl)c3Cl)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].

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

The InChIKey is JCUKQGIAAGDQOB-FERBBOLQSA-N. The full InChI is InChI=1S/C21H18Cl2N4O3S2.H2/c22-16-5-6-17-15(19(16)23)7-10-27(17)18-8-11-26(20(18)28)13-1-3-14(4-2-13)32(29,30)25-21-24-9-12-31-21;/h1-6,9,12,18H,7-8,10-11H2,(H,24,25);1H/t18-;/m0./s1.

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

4-[(3S)-3-(4,5-dichloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen has a molecular weight of 511.46 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3S)-3-(4,5-dichloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 158878992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).