4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide

C21H23N3O8S2 — CID 100539420

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H23N3O8S2/c1-31-18-7-2-15(14-19(18)34(29,30)23-10-12-32-13-11-23)22-33(27,28)17-5-3-16(4-6-17)24-20(25)8-9-21(24)26/h2-7,14,22H,8-13H2,1H3
InChIKeyZKQFQSOYFSILJW-UHFFFAOYSA-N
MW509.56 g/mol
LogP1.17
Rot. Bonds7

About 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide

4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide (PubChem CID 100539420) has the molecular formula C21H23N3O8S2 and a molecular weight of 509.56 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
PubChem CID100539420
Molecular FormulaC21H23N3O8S2
Molecular Weight509.56 g/mol
Exact Mass509.09
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H23N3O8S2/c1-31-18-7-2-15(14-19(18)34(29,30)23-10-12-32-13-11-23)22-33(27,28)17-5-3-16(4-6-17)24-20(25)8-9-21(24)26/h2-7,14,22H,8-13H2,1H3
InChIKeyZKQFQSOYFSILJW-UHFFFAOYSA-N
XLogP1.17
TPSA139.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.56
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 100539406
3-chloro-4-fluoro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 42992279
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(3-methylbutyl)benzenesulfonamide
CID 30953534
3-[4-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 4533150
3-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]benzoic acid
CID 5176528
N-[5-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100501916
3-bromo-4-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 1349058
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 100508329
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 100512130
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 100679263
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2,2-dimethylpropanamide
CID 4578456
3-iodo-4-methoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 100520095

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide (CID 100539420) is 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
The InChIKey is ZKQFQSOYFSILJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O8S2/c1-31-18-7-2-15(14-19(18)34(29,30)23-10-12-32-13-11-23)22-33(27,28)17-5-3-16(4-6-17)24-20(25)8-9-21(24)26/h2-7,14,22H,8-13H2,1H3.
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide has a molecular weight of 509.56 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide is sourced from PubChem (CID 100539420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).