4-[[1-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C20H17ClN4O4S2 — CID 42885247

IUPAC4-[[1-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=C1CC(Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C20H17ClN4O4S2/c21-14-3-1-13(2-4-14)12-25-18(26)11-17(19(25)27)23-15-5-7-16(8-6-15)31(28,29)24-20-22-9-10-30-20/h1-10,17,23H,11-12H2,(H,22,24)
InChIKeyQXYQUVPNYDZTJK-UHFFFAOYSA-N
MW476.97 g/mol
LogP3.34
Rot. Bonds7

About 4-[[1-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[[1-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 42885247) has the molecular formula C20H17ClN4O4S2 and a molecular weight of 476.97 g/mol. Its IUPAC name is 4-[[1-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[[1-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID42885247
Molecular FormulaC20H17ClN4O4S2
Molecular Weight476.97 g/mol
Exact Mass476.04
IUPAC Name4-[[1-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=C1CC(Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C20H17ClN4O4S2/c21-14-3-1-13(2-4-14)12-25-18(26)11-17(19(25)27)23-15-5-7-16(8-6-15)31(28,29)24-20-22-9-10-30-20/h1-10,17,23H,11-12H2,(H,22,24)
InChIKeyQXYQUVPNYDZTJK-UHFFFAOYSA-N
XLogP3.34
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.97
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-[[1-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl]amino]-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)-1-(3-chloro-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 92765753
4-[3-[(4-chlorophenyl)methylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 159657641
1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea
CID 25044879
4-(2-chloroethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 28719509
2-[(4-chlorophenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide
CID 19507330
4-[[1-tert-butyl-3-[(4-chlorophenyl)methyl]pyrazol-5-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 25204101
4-chloro-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzamide
CID 25041464
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-aminoethylsulfanyl)-2,5-dioxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 43860654
4-(methanesulfonamido)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 653937
4-[(4-aminophenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71580375
4-benzylsulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87471470

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[[1-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 42885247) is 4-[[1-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[[1-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[[1-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=C1CC(Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)N1Cc1ccc(Cl)cc1.
What is the InChIKey of 4-[[1-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is QXYQUVPNYDZTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O4S2/c21-14-3-1-13(2-4-14)12-25-18(26)11-17(19(25)27)23-15-5-7-16(8-6-15)31(28,29)24-20-22-9-10-30-20/h1-10,17,23H,11-12H2,(H,22,24).
What are the key properties of 4-[[1-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[[1-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 476.97 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 42885247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).