4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(4-ethylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(6-fluoroindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-3-[3-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C84H83Cl2F4N15O16S8 — CID 157271536

About 4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(4-ethylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(6-fluoroindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-3-[3-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(4-ethylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(6-fluoroindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-3-[3-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 157271536) has the molecular formula C84H83Cl2F4N15O16S8 and a molecular weight of 1962.11 g/mol. Its IUPAC name is 4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(4-ethylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(6-fluoroindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-3-[3-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: 4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(4-ethylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(6-fluoroindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-3-[3-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
• PubChem CID: 157271536
• Molecular Formula: C84H83Cl2F4N15O16S8
• Molecular Weight: 1962.11 g/mol
• Exact Mass: 1959.32
• IUPAC Name: 4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(4-ethylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(6-fluoroindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-3-[3-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
• SMILES: CCc1ccc(OC2CCN(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)cc1.O=C(Cn1ccc2ccc(F)cc21)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)C1.O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1.O=C1C(Oc2cccc(OC(F)(F)F)c2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C23H20FN5O4S2.C21H21N3O4S2.C20H18Cl2N4O3S2.C20H16F3N3O5S2.4H2/c24-17-2-1-16-7-9-27(20(16)13-17)14-21(30)28-10-11-29(22(31)15-28)18-3-5-19(6-4-18)35(32,33)26-23-25-8-12-34-23;1-2-15-3-7-17(8-4-15)28-19-11-13-24(20(19)25)16-5-9-18(10-6-16)30(26,27)23-21-22-12-14-29-21;21-17-6-1-14(13-18(17)22)19(27)26-10-8-25(9-11-26)15-2-4-16(5-3-15)31(28,29)24-20-23-7-12-30-20;21-20(22,23)31-15-3-1-2-14(12-15)30-17-8-10-26(18(17)27)13-4-6-16(7-5-13)33(28,29)25-19-24-9-11-32-19;;;;/h1-9,12-13H,10-11,14-15H2,(H,25,26);3-10,12,14,19H,2,11,13H2,1H3,(H,22,23);1-7,12-13H,8-11H2,(H,23,24);1-7,9,11-12,17H,8,10H2,(H,24,25);4*1H
• InChIKey: AYPFDKYABVIVMV-UHFFFAOYSA-N
• XLogP: 15.83
• TPSA: 373.65 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 25
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1962.11
LogP ≤ 5	15.83
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(4-ethylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(6-fluoroindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-3-[3-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The IUPAC name of 4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(4-ethylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(6-fluoroindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-3-[3-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 157271536) is 4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(4-ethylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(6-fluoroindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-3-[3-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

What is the SMILES notation for 4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(4-ethylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(6-fluoroindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-3-[3-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The canonical SMILES for 4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(4-ethylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(6-fluoroindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-3-[3-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is CCc1ccc(OC2CCN(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)cc1.O=C(Cn1ccc2ccc(F)cc21)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)C1.O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1.O=C1C(Oc2cccc(OC(F)(F)F)c2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(4-ethylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(6-fluoroindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-3-[3-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The InChIKey is AYPFDKYABVIVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O4S2.C21H21N3O4S2.C20H18Cl2N4O3S2.C20H16F3N3O5S2.4H2/c24-17-2-1-16-7-9-27(20(16)13-17)14-21(30)28-10-11-29(22(31)15-28)18-3-5-19(6-4-18)35(32,33)26-23-25-8-12-34-23;1-2-15-3-7-17(8-4-15)28-19-11-13-24(20(19)25)16-5-9-18(10-6-16)30(26,27)23-21-22-12-14-29-21;21-17-6-1-14(13-18(17)22)19(27)26-10-8-25(9-11-26)15-2-4-16(5-3-15)31(28,29)24-20-23-7-12-30-20;21-20(22,23)31-15-3-1-2-14(12-15)30-17-8-10-26(18(17)27)13-4-6-16(7-5-13)33(28,29)25-19-24-9-11-32-19;;;;/h1-9,12-13H,10-11,14-15H2,(H,25,26);3-10,12,14,19H,2,11,13H2,1H3,(H,22,23);1-7,12-13H,8-11H2,(H,23,24);1-7,9,11-12,17H,8,10H2,(H,24,25);4*1H.

What are the key properties of 4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(4-ethylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(6-fluoroindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-3-[3-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(4-ethylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(6-fluoroindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-3-[3-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 1962.11 g/mol, XLogP of 15.83, 25 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(4-ethylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(6-fluoroindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-3-[3-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 157271536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).