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

C21H23N3O5S — CID 11812032

IUPACN-(4-methylphenyl)-4-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(N3C(=O)CC(N4CCOCC4)C3=O)cc2)cc1
InChIInChI=1S/C21H23N3O5S/c1-15-2-4-16(5-3-15)22-30(27,28)18-8-6-17(7-9-18)24-20(25)14-19(21(24)26)23-10-12-29-13-11-23/h2-9,19,22H,10-14H2,1H3
InChIKeyJWKHBBCBSYKUGM-UHFFFAOYSA-N
MW429.50 g/mol
LogP1.76
Rot. Bonds5

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

N-(4-methylphenyl)-4-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 11812032) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID11812032
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC NameN-(4-methylphenyl)-4-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(N3C(=O)CC(N4CCOCC4)C3=O)cc2)cc1
InChIInChI=1S/C21H23N3O5S/c1-15-2-4-16(5-3-15)22-30(27,28)18-8-6-17(7-9-18)24-20(25)14-19(21(24)26)23-10-12-29-13-11-23/h2-9,19,22H,10-14H2,1H3
InChIKeyJWKHBBCBSYKUGM-UHFFFAOYSA-N
XLogP1.76
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-(4-methylphenyl)-4-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)benzenesulfonamide (CID 11812032) is N-(4-methylphenyl)-4-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-methylphenyl)-4-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-(4-methylphenyl)-4-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(N3C(=O)CC(N4CCOCC4)C3=O)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is JWKHBBCBSYKUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-15-2-4-16(5-3-15)22-30(27,28)18-8-6-17(7-9-18)24-20(25)14-19(21(24)26)23-10-12-29-13-11-23/h2-9,19,22H,10-14H2,1H3.
What are the key properties of N-(4-methylphenyl)-4-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)benzenesulfonamide?
N-(4-methylphenyl)-4-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 429.50 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 11812032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).