2-(1,3-dioxoisoindol-2-yl)-N-(2-fluorobutyl)ethanesulfonamide

C14H17FN2O4S — CID 123528249

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(2-fluorobutyl)ethanesulfonamide
SMILESCCC(F)CNS(=O)(=O)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H17FN2O4S/c1-2-10(15)9-16-22(20,21)8-7-17-13(18)11-5-3-4-6-12(11)14(17)19/h3-6,10,16H,2,7-9H2,1H3
InChIKeyBSFAXYGCIGFTAD-UHFFFAOYSA-N
MW328.37 g/mol
LogP0.95
Rot. Bonds7

About 2-(1,3-dioxoisoindol-2-yl)-N-(2-fluorobutyl)ethanesulfonamide

2-(1,3-dioxoisoindol-2-yl)-N-(2-fluorobutyl)ethanesulfonamide (PubChem CID 123528249) has the molecular formula C14H17FN2O4S and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(2-fluorobutyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(2-fluorobutyl)ethanesulfonamide
PubChem CID123528249
Molecular FormulaC14H17FN2O4S
Molecular Weight328.37 g/mol
Exact Mass328.09
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(2-fluorobutyl)ethanesulfonamide
SMILESCCC(F)CNS(=O)(=O)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H17FN2O4S/c1-2-10(15)9-16-22(20,21)8-7-17-13(18)11-5-3-4-6-12(11)14(17)19/h3-6,10,16H,2,7-9H2,1H3
InChIKeyBSFAXYGCIGFTAD-UHFFFAOYSA-N
XLogP0.95
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.95
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 2-(1,3-dioxoisoindol-2-yl)-N-(2-fluorobutyl)ethanesulfonamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(2-fluorobutyl)ethanesulfonamide (CID 123528249) is 2-(1,3-dioxoisoindol-2-yl)-N-(2-fluorobutyl)ethanesulfonamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(2-fluorobutyl)ethanesulfonamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(2-fluorobutyl)ethanesulfonamide is CCC(F)CNS(=O)(=O)CCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(2-fluorobutyl)ethanesulfonamide?
The InChIKey is BSFAXYGCIGFTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O4S/c1-2-10(15)9-16-22(20,21)8-7-17-13(18)11-5-3-4-6-12(11)14(17)19/h3-6,10,16H,2,7-9H2,1H3.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(2-fluorobutyl)ethanesulfonamide?
2-(1,3-dioxoisoindol-2-yl)-N-(2-fluorobutyl)ethanesulfonamide has a molecular weight of 328.37 g/mol, XLogP of 0.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(2-fluorobutyl)ethanesulfonamide is sourced from PubChem (CID 123528249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).