4-[3-(3-chloro-4-fluorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(7-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2R)-2-(2,3-dichlorophenoxy)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-[(3-methylphenyl)methylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

C87H92Cl4FN17O15S7 — CID 158776781

About 4-[3-(3-chloro-4-fluorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(7-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2R)-2-(2,3-dichlorophenoxy)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-[(3-methylphenyl)methylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

4-[3-(3-chloro-4-fluorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(7-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2R)-2-(2,3-dichlorophenoxy)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-[(3-methylphenyl)methylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (PubChem CID 158776781) has the molecular formula C87H92Cl4FN17O15S7 and a molecular weight of 2001.08 g/mol. Its IUPAC name is 4-[3-(3-chloro-4-fluorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(7-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2R)-2-(2,3-dichlorophenoxy)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-[(3-methylphenyl)methylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.

Molecular Properties

• Compound Name: 4-[3-(3-chloro-4-fluorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(7-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2R)-2-(2,3-dichlorophenoxy)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-[(3-methylphenyl)methylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
• PubChem CID: 158776781
• Molecular Formula: C87H92Cl4FN17O15S7
• Molecular Weight: 2001.08 g/mol
• Exact Mass: 1997.37
• IUPAC Name: 4-[3-(3-chloro-4-fluorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(7-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2R)-2-(2,3-dichlorophenoxy)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-[(3-methylphenyl)methylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
• SMILES: CC(C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1)n1ccc2cccc(Cl)c21.C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)C1.Cc1cccc(CNC2CCN(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)c1.O=C1C(Oc2ccc(F)c(Cl)c2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C25H25ClN6O3S.C22H20Cl2N4O5S2.C21H22N4O3S2.C19H15ClFN3O4S2.5H2/c1-18(32-12-10-19-3-2-4-22(26)24(19)32)25(33)31-15-13-30(14-16-31)20-5-7-21(8-6-20)36(34,35)29-23-9-11-27-17-28-23;1-14(33-18-4-2-3-17(23)20(18)24)21(30)27-10-11-28(19(29)13-27)15-5-7-16(8-6-15)35(31,32)26-22-25-9-12-34-22;1-15-3-2-4-16(13-15)14-23-19-9-11-25(20(19)26)17-5-7-18(8-6-17)30(27,28)24-21-22-10-12-29-21;20-15-11-13(3-6-16(15)21)28-17-7-9-24(18(17)25)12-1-4-14(5-2-12)30(26,27)23-19-22-8-10-29-19;;;;;/h2-12,17-18H,13-16H2,1H3,(H,27,28,29);2-9,12,14H,10-11,13H2,1H3,(H,25,26);2-8,10,12-13,19,23H,9,11,14H2,1H3,(H,22,24);1-6,8,10-11,17H,7,9H2,(H,22,23);5*1H/t;14-;;;;;;;/m.1......./s1
• InChIKey: IQOJSQQVAYBUSO-XSICTPKRSA-N
• XLogP: 15.99
• TPSA: 389.34 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2001.08
LogP ≤ 5	15.99
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-chloro-4-fluorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(7-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2R)-2-(2,3-dichlorophenoxy)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-[(3-methylphenyl)methylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The IUPAC name of 4-[3-(3-chloro-4-fluorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(7-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2R)-2-(2,3-dichlorophenoxy)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-[(3-methylphenyl)methylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (CID 158776781) is 4-[3-(3-chloro-4-fluorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(7-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2R)-2-(2,3-dichlorophenoxy)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-[(3-methylphenyl)methylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.

What is the SMILES notation for 4-[3-(3-chloro-4-fluorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(7-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2R)-2-(2,3-dichlorophenoxy)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-[(3-methylphenyl)methylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The canonical SMILES for 4-[3-(3-chloro-4-fluorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(7-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2R)-2-(2,3-dichlorophenoxy)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-[(3-methylphenyl)methylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is CC(C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1)n1ccc2cccc(Cl)c21.C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)C1.Cc1cccc(CNC2CCN(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)c1.O=C1C(Oc2ccc(F)c(Cl)c2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 4-[3-(3-chloro-4-fluorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(7-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2R)-2-(2,3-dichlorophenoxy)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-[(3-methylphenyl)methylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The InChIKey is IQOJSQQVAYBUSO-XSICTPKRSA-N. The full InChI is InChI=1S/C25H25ClN6O3S.C22H20Cl2N4O5S2.C21H22N4O3S2.C19H15ClFN3O4S2.5H2/c1-18(32-12-10-19-3-2-4-22(26)24(19)32)25(33)31-15-13-30(14-16-31)20-5-7-21(8-6-20)36(34,35)29-23-9-11-27-17-28-23;1-14(33-18-4-2-3-17(23)20(18)24)21(30)27-10-11-28(19(29)13-27)15-5-7-16(8-6-15)35(31,32)26-22-25-9-12-34-22;1-15-3-2-4-16(13-15)14-23-19-9-11-25(20(19)26)17-5-7-18(8-6-17)30(27,28)24-21-22-10-12-29-21;20-15-11-13(3-6-16(15)21)28-17-7-9-24(18(17)25)12-1-4-14(5-2-12)30(26,27)23-19-22-8-10-29-19;;;;;/h2-12,17-18H,13-16H2,1H3,(H,27,28,29);2-9,12,14H,10-11,13H2,1H3,(H,25,26);2-8,10,12-13,19,23H,9,11,14H2,1H3,(H,22,24);1-6,8,10-11,17H,7,9H2,(H,22,23);5*1H/t;14-;;;;;;;/m.1......./s1.

What are the key properties of 4-[3-(3-chloro-4-fluorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(7-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2R)-2-(2,3-dichlorophenoxy)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-[(3-methylphenyl)methylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

4-[3-(3-chloro-4-fluorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(7-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2R)-2-(2,3-dichlorophenoxy)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-[(3-methylphenyl)methylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen has a molecular weight of 2001.08 g/mol, XLogP of 15.99, 26 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(3-chloro-4-fluorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(7-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2R)-2-(2,3-dichlorophenoxy)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-[(3-methylphenyl)methylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 158776781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).