4-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyridin-2-yloxyphenyl)benzenesulfonamide

C21H17N3O5S — CID 146022793

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyridin-2-yloxyphenyl)benzenesulfonamide
SMILESO=C1CCC(=O)N1c1ccc(S(=O)(=O)Nc2ccc(Oc3ccccn3)cc2)cc1
InChIInChI=1S/C21H17N3O5S/c25-20-12-13-21(26)24(20)16-6-10-18(11-7-16)30(27,28)23-15-4-8-17(9-5-15)29-19-3-1-2-14-22-19/h1-11,14,23H,12-13H2
InChIKeySPBBLAIZOHLRKS-UHFFFAOYSA-N
MW423.45 g/mol
LogP3.33
Rot. Bonds6

About 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyridin-2-yloxyphenyl)benzenesulfonamide

4-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyridin-2-yloxyphenyl)benzenesulfonamide (PubChem CID 146022793) has the molecular formula C21H17N3O5S and a molecular weight of 423.45 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyridin-2-yloxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyridin-2-yloxyphenyl)benzenesulfonamide
PubChem CID146022793
Molecular FormulaC21H17N3O5S
Molecular Weight423.45 g/mol
Exact Mass423.09
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyridin-2-yloxyphenyl)benzenesulfonamide
SMILESO=C1CCC(=O)N1c1ccc(S(=O)(=O)Nc2ccc(Oc3ccccn3)cc2)cc1
InChIInChI=1S/C21H17N3O5S/c25-20-12-13-21(26)24(20)16-6-10-18(11-7-16)30(27,28)23-15-4-8-17(9-5-15)29-19-3-1-2-14-22-19/h1-11,14,23H,12-13H2
InChIKeySPBBLAIZOHLRKS-UHFFFAOYSA-N
XLogP3.33
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
CID 122302540
4-(2,5-dioxopyrrolidin-1-yl)-N-phenylbenzenesulfonamide
CID 867577
4-(2,5-dioxopyrrolidin-1-yl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide
CID 122285743
4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide
CID 92676052
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenylphenyl)benzenesulfonamide
CID 100540065
N-[4-(cyclopropanecarbonyl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 110425307
4-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyrimidin-2-yloxyphenyl)benzamide
CID 55833464
4-(2,5-dioxopyrrolidin-1-yl)-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 110868050
4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286657
4-pyridin-2-yloxybenzenesulfonyl chloride;sulfurochloridic acid
CID 143039139
(4-pyridin-2-yloxyphenyl)hydrazine
CID 69019793
4-[(4-ethoxyphenyl)sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide
CID 92674441

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyridin-2-yloxyphenyl)benzenesulfonamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyridin-2-yloxyphenyl)benzenesulfonamide (CID 146022793) is 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyridin-2-yloxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyridin-2-yloxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyridin-2-yloxyphenyl)benzenesulfonamide is O=C1CCC(=O)N1c1ccc(S(=O)(=O)Nc2ccc(Oc3ccccn3)cc2)cc1.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyridin-2-yloxyphenyl)benzenesulfonamide?
The InChIKey is SPBBLAIZOHLRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O5S/c25-20-12-13-21(26)24(20)16-6-10-18(11-7-16)30(27,28)23-15-4-8-17(9-5-15)29-19-3-1-2-14-22-19/h1-11,14,23H,12-13H2.
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyridin-2-yloxyphenyl)benzenesulfonamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyridin-2-yloxyphenyl)benzenesulfonamide has a molecular weight of 423.45 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyridin-2-yloxyphenyl)benzenesulfonamide is sourced from PubChem (CID 146022793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).