N-(2-methyl-1,3-dioxoisoindol-5-yl)pyrrolidine-3-sulfonamide

C13H15N3O4S — CID 65420027

IUPACN-(2-methyl-1,3-dioxoisoindol-5-yl)pyrrolidine-3-sulfonamide
SMILESCN1C(=O)c2ccc(NS(=O)(=O)C3CCNC3)cc2C1=O
InChIInChI=1S/C13H15N3O4S/c1-16-12(17)10-3-2-8(6-11(10)13(16)18)15-21(19,20)9-4-5-14-7-9/h2-3,6,9,14-15H,4-5,7H2,1H3
InChIKeyUEHRKFXDDZVXCX-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.02
Rot. Bonds3

About N-(2-methyl-1,3-dioxoisoindol-5-yl)pyrrolidine-3-sulfonamide

N-(2-methyl-1,3-dioxoisoindol-5-yl)pyrrolidine-3-sulfonamide (PubChem CID 65420027) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is N-(2-methyl-1,3-dioxoisoindol-5-yl)pyrrolidine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-dioxoisoindol-5-yl)pyrrolidine-3-sulfonamide
PubChem CID65420027
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC NameN-(2-methyl-1,3-dioxoisoindol-5-yl)pyrrolidine-3-sulfonamide
SMILESCN1C(=O)c2ccc(NS(=O)(=O)C3CCNC3)cc2C1=O
InChIInChI=1S/C13H15N3O4S/c1-16-12(17)10-3-2-8(6-11(10)13(16)18)15-21(19,20)9-4-5-14-7-9/h2-3,6,9,14-15H,4-5,7H2,1H3
InChIKeyUEHRKFXDDZVXCX-UHFFFAOYSA-N
XLogP0.02
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2-methyl-1,3-dioxoisoindol-5-yl)pyrrolidine-3-sulfonamide?
The IUPAC name of N-(2-methyl-1,3-dioxoisoindol-5-yl)pyrrolidine-3-sulfonamide (CID 65420027) is N-(2-methyl-1,3-dioxoisoindol-5-yl)pyrrolidine-3-sulfonamide.
What is the SMILES notation for N-(2-methyl-1,3-dioxoisoindol-5-yl)pyrrolidine-3-sulfonamide?
The canonical SMILES for N-(2-methyl-1,3-dioxoisoindol-5-yl)pyrrolidine-3-sulfonamide is CN1C(=O)c2ccc(NS(=O)(=O)C3CCNC3)cc2C1=O.
What is the InChIKey of N-(2-methyl-1,3-dioxoisoindol-5-yl)pyrrolidine-3-sulfonamide?
The InChIKey is UEHRKFXDDZVXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-16-12(17)10-3-2-8(6-11(10)13(16)18)15-21(19,20)9-4-5-14-7-9/h2-3,6,9,14-15H,4-5,7H2,1H3.
What are the key properties of N-(2-methyl-1,3-dioxoisoindol-5-yl)pyrrolidine-3-sulfonamide?
N-(2-methyl-1,3-dioxoisoindol-5-yl)pyrrolidine-3-sulfonamide has a molecular weight of 309.35 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-dioxoisoindol-5-yl)pyrrolidine-3-sulfonamide is sourced from PubChem (CID 65420027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).