4-[3-(2-tert-butylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-(7-chloroindol-1-yl)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]acetamide;4-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen

C91H105Cl3N18O14S6 — CID 161203817

IUPAC4-[3-(2-tert-butylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-(7-chloroindol-1-yl)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]acetamide;4-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
SMILESCC(C)(C)c1ccccc1OC1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1=O.CC(Oc1cccc(Cl)c1)C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.O=C(Cc1cccc(Cl)c1)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.O=C(Cn1ccc2cccc(Cl)c21)N[C@H]1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C23H24ClN5O4S.C23H22ClN5O3S2.C23H25N3O4S2.C22H22ClN5O3S.6H2/c1-17(33-20-4-2-3-18(24)15-20)23(30)29-13-11-28(12-14-29)19-5-7-21(8-6-19)34(31,32)27-22-9-10-25-16-26-22;24-20-3-1-2-16-8-11-29(22(16)20)15-21(30)26-17-9-12-28(14-17)18-4-6-19(7-5-18)34(31,32)27-23-25-10-13-33-23;1-23(2,3)18-6-4-5-7-19(18)30-20-12-14-26(21(20)27)16-8-10-17(11-9-16)32(28,29)25-22-24-13-15-31-22;23-18-3-1-2-17(14-18)15-22(29)28-12-10-27(11-13-28)19-4-6-20(7-5-19)32(30,31)26-21-8-9-24-16-25-21;;;;;;/h2-10,15-17H,11-14H2,1H3,(H,25,26,27);1-8,10-11,13,17H,9,12,14-15H2,(H,25,27)(H,26,30);4-11,13,15,20H,12,14H2,1-3H3,(H,24,25);1-9,14,16H,10-13,15H2,(H,24,25,26);6*1H/t;17-;;;;;;;;/m.0......../s1
InChIKeyUVIJHXMGXNDFET-KJEJCBKYSA-N
MW1973.71 g/mol
LogP15.72
Rot. Bonds26

About 4-[3-(2-tert-butylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-(7-chloroindol-1-yl)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]acetamide;4-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen

4-[3-(2-tert-butylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-(7-chloroindol-1-yl)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]acetamide;4-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen (PubChem CID 161203817) has the molecular formula C91H105Cl3N18O14S6 and a molecular weight of 1973.71 g/mol. Its IUPAC name is 4-[3-(2-tert-butylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-(7-chloroindol-1-yl)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]acetamide;4-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen.

Molecular Properties

Compound Name4-[3-(2-tert-butylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-(7-chloroindol-1-yl)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]acetamide;4-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
PubChem CID161203817
Molecular FormulaC91H105Cl3N18O14S6
Molecular Weight1973.71 g/mol
Exact Mass1970.54
IUPAC Name4-[3-(2-tert-butylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-(7-chloroindol-1-yl)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]acetamide;4-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
SMILESCC(C)(C)c1ccccc1OC1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1=O.CC(Oc1cccc(Cl)c1)C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.O=C(Cc1cccc(Cl)c1)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.O=C(Cn1ccc2cccc(Cl)c21)N[C@H]1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C23H24ClN5O4S.C23H22ClN5O3S2.C23H25N3O4S2.C22H22ClN5O3S.6H2/c1-17(33-20-4-2-3-18(24)15-20)23(30)29-13-11-28(12-14-29)19-5-7-21(8-6-19)34(31,32)27-22-9-10-25-16-26-22;24-20-3-1-2-16-8-11-29(22(16)20)15-21(30)26-17-9-12-28(14-17)18-4-6-19(7-5-18)34(31,32)27-23-25-10-13-33-23;1-23(2,3)18-6-4-5-7-19(18)30-20-12-14-26(21(20)27)16-8-10-17(11-9-16)32(28,29)25-22-24-13-15-31-22;23-18-3-1-2-17(14-18)15-22(29)28-12-10-27(11-13-28)19-4-6-20(7-5-19)32(30,31)26-21-8-9-24-16-25-21;;;;;;/h2-10,15-17H,11-14H2,1H3,(H,25,26,27);1-8,10-11,13,17H,9,12,14-15H2,(H,25,27)(H,26,30);4-11,13,15,20H,12,14H2,1-3H3,(H,24,25);1-9,14,16H,10-13,15H2,(H,24,25,26);6*1H/t;17-;;;;;;;;/m.0......../s1
InChIKeyUVIJHXMGXNDFET-KJEJCBKYSA-N
XLogP15.72
TPSA385.16 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds26
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001973.71
LogP ≤ 515.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1026

Analyze 4-[3-(2-tert-butylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-(7-chloroindol-1-yl)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]acetamide;4-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen with MolForge

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Related Compounds

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
4-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
CID 162198531
4-[(3S)-4-[2-(7-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 160780513
4-[4-(6-chloro-3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[3-(3,4-dichlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-hydroxy-1H-indol-3-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
CID 158273959
4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]benzenesulfinate;4-[(3S)-3-(2-chlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-hydroxy-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(7-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;4-[1-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 158372000
4-[4-[2-(2,4-dichlorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide
CID 59465995
4-[3-(2,4-dichlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 161476283
4-[(3R)-3-(2,3-dichlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 58215217
4-[(3R)-4-[3-(7-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
CID 161295791
4-[1-[(E)-2-(2-chlorobenzenecarboximidoyl)-3-hydroxybut-2-enoyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[4-(2-naphthalen-1-yloxyacetyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-(2-phenylpropanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide
CID 162092687
molecular hydrogen;4-[2-oxo-3-(3-propan-2-ylphenoxy)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 160786597
4-[4-[2-(6-chloroindol-1-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
CID 159158457

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-tert-butylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-(7-chloroindol-1-yl)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]acetamide;4-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen?
The IUPAC name of 4-[3-(2-tert-butylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-(7-chloroindol-1-yl)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]acetamide;4-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen (CID 161203817) is 4-[3-(2-tert-butylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-(7-chloroindol-1-yl)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]acetamide;4-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen.
What is the SMILES notation for 4-[3-(2-tert-butylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-(7-chloroindol-1-yl)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]acetamide;4-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen?
The canonical SMILES for 4-[3-(2-tert-butylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-(7-chloroindol-1-yl)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]acetamide;4-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen is CC(C)(C)c1ccccc1OC1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1=O.CC(Oc1cccc(Cl)c1)C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.O=C(Cc1cccc(Cl)c1)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.O=C(Cn1ccc2cccc(Cl)c21)N[C@H]1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 4-[3-(2-tert-butylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-(7-chloroindol-1-yl)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]acetamide;4-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen?
The InChIKey is UVIJHXMGXNDFET-KJEJCBKYSA-N. The full InChI is InChI=1S/C23H24ClN5O4S.C23H22ClN5O3S2.C23H25N3O4S2.C22H22ClN5O3S.6H2/c1-17(33-20-4-2-3-18(24)15-20)23(30)29-13-11-28(12-14-29)19-5-7-21(8-6-19)34(31,32)27-22-9-10-25-16-26-22;24-20-3-1-2-16-8-11-29(22(16)20)15-21(30)26-17-9-12-28(14-17)18-4-6-19(7-5-18)34(31,32)27-23-25-10-13-33-23;1-23(2,3)18-6-4-5-7-19(18)30-20-12-14-26(21(20)27)16-8-10-17(11-9-16)32(28,29)25-22-24-13-15-31-22;23-18-3-1-2-17(14-18)15-22(29)28-12-10-27(11-13-28)19-4-6-20(7-5-19)32(30,31)26-21-8-9-24-16-25-21;;;;;;/h2-10,15-17H,11-14H2,1H3,(H,25,26,27);1-8,10-11,13,17H,9,12,14-15H2,(H,25,27)(H,26,30);4-11,13,15,20H,12,14H2,1-3H3,(H,24,25);1-9,14,16H,10-13,15H2,(H,24,25,26);6*1H/t;17-;;;;;;;;/m.0......../s1.
What are the key properties of 4-[3-(2-tert-butylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-(7-chloroindol-1-yl)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]acetamide;4-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen?
4-[3-(2-tert-butylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-(7-chloroindol-1-yl)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]acetamide;4-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen has a molecular weight of 1973.71 g/mol, XLogP of 15.72, 26 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-tert-butylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-(7-chloroindol-1-yl)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]acetamide;4-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 161203817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).