N-(1,3-dioxoisoindol-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide

C19H17N3O5S — CID 2369118

IUPACN-(1,3-dioxoisoindol-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1cccc2c1C(=O)NC2=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H17N3O5S/c23-17(20-15-5-3-4-14-16(15)19(25)21-18(14)24)12-6-8-13(9-7-12)28(26,27)22-10-1-2-11-22/h3-9H,1-2,10-11H2,(H,20,23)(H,21,24,25)
InChIKeySNIRNPDDHJUQPU-UHFFFAOYSA-N
MW399.43 g/mol
LogP1.61
Rot. Bonds4

About N-(1,3-dioxoisoindol-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide

N-(1,3-dioxoisoindol-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 2369118) has the molecular formula C19H17N3O5S and a molecular weight of 399.43 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID2369118
Molecular FormulaC19H17N3O5S
Molecular Weight399.43 g/mol
Exact Mass399.09
IUPAC NameN-(1,3-dioxoisoindol-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1cccc2c1C(=O)NC2=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H17N3O5S/c23-17(20-15-5-3-4-14-16(15)19(25)21-18(14)24)12-6-8-13(9-7-12)28(26,27)22-10-1-2-11-22/h3-9H,1-2,10-11H2,(H,20,23)(H,21,24,25)
InChIKeySNIRNPDDHJUQPU-UHFFFAOYSA-N
XLogP1.61
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 51.61
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-(1,3-dioxoisoindol-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(1,3-dioxoisoindol-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide (CID 2369118) is N-(1,3-dioxoisoindol-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(1,3-dioxoisoindol-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1cccc2c1C(=O)NC2=O)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-(1,3-dioxoisoindol-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is SNIRNPDDHJUQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5S/c23-17(20-15-5-3-4-14-16(15)19(25)21-18(14)24)12-6-8-13(9-7-12)28(26,27)22-10-1-2-11-22/h3-9H,1-2,10-11H2,(H,20,23)(H,21,24,25).
What are the key properties of N-(1,3-dioxoisoindol-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
N-(1,3-dioxoisoindol-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 399.43 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2369118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).