4-[(3S)-3-[(3R)-3-(3,5-dichlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(4-fluorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[(3R)-3-(3,5-dichlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C54H51Cl4FN8O8S5 — CID 158042239

IUPAC4-[(3S)-3-[(3R)-3-(3,5-dichlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(4-fluorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[(3R)-3-(3,5-dichlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=C1[C@@H](N2CCC[C@H](c3cc(Cl)cc(Cl)c3)C2)CCN1c1ccc(S(=O)(=O)N(c2nccs2)S(=O)(=O)c2ccc(F)cc2)cc1.O=C1[C@@H](N2CCC[C@H](c3cc(Cl)cc(Cl)c3)C2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C30H27Cl2FN4O5S3.C24H24Cl2N4O3S2/c31-22-16-21(17-23(32)18-22)20-2-1-13-35(19-20)28-11-14-36(29(28)38)25-5-9-27(10-6-25)45(41,42)37(30-34-12-15-43-30)44(39,40)26-7-3-24(33)4-8-26;25-18-12-17(13-19(26)14-18)16-2-1-9-29(15-16)22-7-10-30(23(22)31)20-3-5-21(6-4-20)35(32,33)28-24-27-8-11-34-24/h3-10,12,15-18,20,28H,1-2,11,13-14,19H2;3-6,8,11-14,16,22H,1-2,7,9-10,15H2,(H,27,28)/t20-,28-;16-,22-/m00/s1
InChIKeyFIMLHHGRTNOEQF-SNZGAINTSA-N
MW1261.19 g/mol
LogP11.39
Rot. Bonds14

About 4-[(3S)-3-[(3R)-3-(3,5-dichlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(4-fluorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[(3R)-3-(3,5-dichlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[(3S)-3-[(3R)-3-(3,5-dichlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(4-fluorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[(3R)-3-(3,5-dichlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 158042239) has the molecular formula C54H51Cl4FN8O8S5 and a molecular weight of 1261.19 g/mol. Its IUPAC name is 4-[(3S)-3-[(3R)-3-(3,5-dichlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(4-fluorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[(3R)-3-(3,5-dichlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(3S)-3-[(3R)-3-(3,5-dichlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(4-fluorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[(3R)-3-(3,5-dichlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID158042239
Molecular FormulaC54H51Cl4FN8O8S5
Molecular Weight1261.19 g/mol
Exact Mass1258.12
IUPAC Name4-[(3S)-3-[(3R)-3-(3,5-dichlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(4-fluorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[(3R)-3-(3,5-dichlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=C1[C@@H](N2CCC[C@H](c3cc(Cl)cc(Cl)c3)C2)CCN1c1ccc(S(=O)(=O)N(c2nccs2)S(=O)(=O)c2ccc(F)cc2)cc1.O=C1[C@@H](N2CCC[C@H](c3cc(Cl)cc(Cl)c3)C2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C30H27Cl2FN4O5S3.C24H24Cl2N4O3S2/c31-22-16-21(17-23(32)18-22)20-2-1-13-35(19-20)28-11-14-36(29(28)38)25-5-9-27(10-6-25)45(41,42)37(30-34-12-15-43-30)44(39,40)26-7-3-24(33)4-8-26;25-18-12-17(13-19(26)14-18)16-2-1-9-29(15-16)22-7-10-30(23(22)31)20-3-5-21(6-4-20)35(32,33)28-24-27-8-11-34-24/h3-10,12,15-18,20,28H,1-2,11,13-14,19H2;3-6,8,11-14,16,22H,1-2,7,9-10,15H2,(H,27,28)/t20-,28-;16-,22-/m00/s1
InChIKeyFIMLHHGRTNOEQF-SNZGAINTSA-N
XLogP11.39
TPSA190.57 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001261.19
LogP ≤ 511.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 4-[(3S)-3-[(3R)-3-(3,5-dichlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(4-fluorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[(3R)-3-(3,5-dichlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3S)-3-[3-(3,5-dichlorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 59593458
4-[3-[3-(3,5-dichlorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 75047581
4-[3-[3-(3-chlorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 75078988
4-[(3S)-2-oxo-3-pyrrolidin-1-ylpyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 88538161
(3S)-3-[(3R)-3-(3-chloro-5-methylphenyl)piperidin-1-yl]-1-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]pyrrolidin-2-one
CID 58049442
4-[(3S)-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 158035543
4-[3-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 76597233
4-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 158509244
4-[(3S)-3-(5,6-dichloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 59466398
4-[(3S)-3-[4-(2,3-difluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 59465626
N-(4-fluorophenyl)sulfonyl-4-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(3R)-3-hydroxy-1-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]pyrrolidin-2-one
CID 158951404
4-[(3S)-3-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 160519982

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-[(3R)-3-(3,5-dichlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(4-fluorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[(3R)-3-(3,5-dichlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[(3S)-3-[(3R)-3-(3,5-dichlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(4-fluorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[(3R)-3-(3,5-dichlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 158042239) is 4-[(3S)-3-[(3R)-3-(3,5-dichlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(4-fluorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[(3R)-3-(3,5-dichlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[(3S)-3-[(3R)-3-(3,5-dichlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(4-fluorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[(3R)-3-(3,5-dichlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[(3S)-3-[(3R)-3-(3,5-dichlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(4-fluorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[(3R)-3-(3,5-dichlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=C1[C@@H](N2CCC[C@H](c3cc(Cl)cc(Cl)c3)C2)CCN1c1ccc(S(=O)(=O)N(c2nccs2)S(=O)(=O)c2ccc(F)cc2)cc1.O=C1[C@@H](N2CCC[C@H](c3cc(Cl)cc(Cl)c3)C2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 4-[(3S)-3-[(3R)-3-(3,5-dichlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(4-fluorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[(3R)-3-(3,5-dichlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is FIMLHHGRTNOEQF-SNZGAINTSA-N. The full InChI is InChI=1S/C30H27Cl2FN4O5S3.C24H24Cl2N4O3S2/c31-22-16-21(17-23(32)18-22)20-2-1-13-35(19-20)28-11-14-36(29(28)38)25-5-9-27(10-6-25)45(41,42)37(30-34-12-15-43-30)44(39,40)26-7-3-24(33)4-8-26;25-18-12-17(13-19(26)14-18)16-2-1-9-29(15-16)22-7-10-30(23(22)31)20-3-5-21(6-4-20)35(32,33)28-24-27-8-11-34-24/h3-10,12,15-18,20,28H,1-2,11,13-14,19H2;3-6,8,11-14,16,22H,1-2,7,9-10,15H2,(H,27,28)/t20-,28-;16-,22-/m00/s1.
What are the key properties of 4-[(3S)-3-[(3R)-3-(3,5-dichlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(4-fluorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[(3R)-3-(3,5-dichlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[(3S)-3-[(3R)-3-(3,5-dichlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(4-fluorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[(3R)-3-(3,5-dichlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 1261.19 g/mol, XLogP of 11.39, 14 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-[(3R)-3-(3,5-dichlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(4-fluorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[(3R)-3-(3,5-dichlorophenyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 158042239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).