N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]propane-1-sulfonamide

C13H15ClN2O4S — CID 113082296

IUPACN-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCN1C(=O)c2ccc(Cl)cc2C1=O
InChIInChI=1S/C13H15ClN2O4S/c1-2-7-21(19,20)15-5-6-16-12(17)10-4-3-9(14)8-11(10)13(16)18/h3-4,8,15H,2,5-7H2,1H3
InChIKeyRFOJNWZYFONHJG-UHFFFAOYSA-N
MW330.79 g/mol
LogP1.27
Rot. Bonds6

About N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]propane-1-sulfonamide

N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]propane-1-sulfonamide (PubChem CID 113082296) has the molecular formula C13H15ClN2O4S and a molecular weight of 330.79 g/mol. Its IUPAC name is N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]propane-1-sulfonamide
PubChem CID113082296
Molecular FormulaC13H15ClN2O4S
Molecular Weight330.79 g/mol
Exact Mass330.04
IUPAC NameN-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCN1C(=O)c2ccc(Cl)cc2C1=O
InChIInChI=1S/C13H15ClN2O4S/c1-2-7-21(19,20)15-5-6-16-12(17)10-4-3-9(14)8-11(10)13(16)18/h3-4,8,15H,2,5-7H2,1H3
InChIKeyRFOJNWZYFONHJG-UHFFFAOYSA-N
XLogP1.27
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.79
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]propane-1-sulfonamide (CID 113082296) is N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCN1C(=O)c2ccc(Cl)cc2C1=O.
What is the InChIKey of N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]propane-1-sulfonamide?
The InChIKey is RFOJNWZYFONHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O4S/c1-2-7-21(19,20)15-5-6-16-12(17)10-4-3-9(14)8-11(10)13(16)18/h3-4,8,15H,2,5-7H2,1H3.
What are the key properties of N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]propane-1-sulfonamide?
N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]propane-1-sulfonamide has a molecular weight of 330.79 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 113082296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).