4-[(3R)-3-(5-chloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide;4-[(3S)-3-[4-(4-fluorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

C67H69Cl2F4N13O9S6 — CID 161301701

About 4-[(3R)-3-(5-chloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide;4-[(3S)-3-[4-(4-fluorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

4-[(3R)-3-(5-chloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide;4-[(3S)-3-[4-(4-fluorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (PubChem CID 161301701) has the molecular formula C67H69Cl2F4N13O9S6 and a molecular weight of 1539.67 g/mol. Its IUPAC name is 4-[(3R)-3-(5-chloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide;4-[(3S)-3-[4-(4-fluorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.

Molecular Properties

• Compound Name: 4-[(3R)-3-(5-chloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide;4-[(3S)-3-[4-(4-fluorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
• PubChem CID: 161301701
• Molecular Formula: C67H69Cl2F4N13O9S6
• Molecular Weight: 1539.67 g/mol
• Exact Mass: 1537.30
• IUPAC Name: 4-[(3R)-3-(5-chloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide;4-[(3S)-3-[4-(4-fluorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
• SMILES: O=C1[C@@H](N2CCC(c3ccc(F)cc3)CC2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.O=C1[C@@H](N2CCCc3cc(Cl)ccc32)CCN1c1ccc(S(=O)(=O)Nc2nnc(C(F)(F)F)s2)cc1.O=C1[C@H](N2CCc3cc(Cl)ccc32)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C24H25FN4O3S2.C22H19ClF3N5O3S2.C21H19ClN4O3S2.3H2/c25-19-3-1-17(2-4-19)18-9-13-28(14-10-18)22-11-15-29(23(22)30)20-5-7-21(8-6-20)34(31,32)27-24-26-12-16-33-24;23-14-3-8-17-13(12-14)2-1-10-31(17)18-9-11-30(19(18)32)15-4-6-16(7-5-15)36(33,34)29-21-28-27-20(35-21)22(24,25)26;22-15-1-6-18-14(13-15)7-10-26(18)19-8-11-25(20(19)27)16-2-4-17(5-3-16)31(28,29)24-21-23-9-12-30-21;;;/h1-8,12,16,18,22H,9-11,13-15H2,(H,26,27);3-8,12,18H,1-2,9-11H2,(H,28,29);1-6,9,12-13,19H,7-8,10-11H2,(H,23,24);3*1H/t22-;18-;19-;;;/m001.../s1
• InChIKey: VHSARAADLANNAT-CZURFUKISA-N
• XLogP: 13.14
• TPSA: 260.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1539.67
LogP ≤ 5	13.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(5-chloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide;4-[(3S)-3-[4-(4-fluorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The IUPAC name of 4-[(3R)-3-(5-chloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide;4-[(3S)-3-[4-(4-fluorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (CID 161301701) is 4-[(3R)-3-(5-chloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide;4-[(3S)-3-[4-(4-fluorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.

What is the SMILES notation for 4-[(3R)-3-(5-chloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide;4-[(3S)-3-[4-(4-fluorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The canonical SMILES for 4-[(3R)-3-(5-chloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide;4-[(3S)-3-[4-(4-fluorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is O=C1[C@@H](N2CCC(c3ccc(F)cc3)CC2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.O=C1[C@@H](N2CCCc3cc(Cl)ccc32)CCN1c1ccc(S(=O)(=O)Nc2nnc(C(F)(F)F)s2)cc1.O=C1[C@H](N2CCc3cc(Cl)ccc32)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].

What is the InChIKey of 4-[(3R)-3-(5-chloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide;4-[(3S)-3-[4-(4-fluorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The InChIKey is VHSARAADLANNAT-CZURFUKISA-N. The full InChI is InChI=1S/C24H25FN4O3S2.C22H19ClF3N5O3S2.C21H19ClN4O3S2.3H2/c25-19-3-1-17(2-4-19)18-9-13-28(14-10-18)22-11-15-29(23(22)30)20-5-7-21(8-6-20)34(31,32)27-24-26-12-16-33-24;23-14-3-8-17-13(12-14)2-1-10-31(17)18-9-11-30(19(18)32)15-4-6-16(7-5-15)36(33,34)29-21-28-27-20(35-21)22(24,25)26;22-15-1-6-18-14(13-15)7-10-26(18)19-8-11-25(20(19)27)16-2-4-17(5-3-16)31(28,29)24-21-23-9-12-30-21;;;/h1-8,12,16,18,22H,9-11,13-15H2,(H,26,27);3-8,12,18H,1-2,9-11H2,(H,28,29);1-6,9,12-13,19H,7-8,10-11H2,(H,23,24);3*1H/t22-;18-;19-;;;/m001.../s1.

What are the key properties of 4-[(3R)-3-(5-chloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide;4-[(3S)-3-[4-(4-fluorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

4-[(3R)-3-(5-chloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide;4-[(3S)-3-[4-(4-fluorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen has a molecular weight of 1539.67 g/mol, XLogP of 13.14, 16 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3R)-3-(5-chloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide;4-[(3S)-3-[4-(4-fluorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 161301701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).