N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propane-1-sulfonamide

C17H16N2O4S — CID 110352271

IUPACN-[3-(1,3-dioxoisoindol-2-yl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C17H16N2O4S/c1-2-10-24(22,23)18-12-6-5-7-13(11-12)19-16(20)14-8-3-4-9-15(14)17(19)21/h3-9,11,18H,2,10H2,1H3
InChIKeyVGQYOIZZCLGEEP-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.64
Rot. Bonds5

About N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propane-1-sulfonamide

N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propane-1-sulfonamide (PubChem CID 110352271) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(1,3-dioxoisoindol-2-yl)phenyl]propane-1-sulfonamide
PubChem CID110352271
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC NameN-[3-(1,3-dioxoisoindol-2-yl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C17H16N2O4S/c1-2-10-24(22,23)18-12-6-5-7-13(11-12)19-16(20)14-8-3-4-9-15(14)17(19)21/h3-9,11,18H,2,10H2,1H3
InChIKeyVGQYOIZZCLGEEP-UHFFFAOYSA-N
XLogP2.64
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(1,3-Dioxo-1,3-dihydro-isoindol-2-YL)-benzenesulfonamide
CID 3586494
2-[3-(Dimethylamino)phenyl]isoindole-1,3-dione
CID 25271534
2-(3-aminophenyl)-2,3-dihydro-1H-isoindole-1,3-dione
CID 960942
2-(4-Aminophenyl)-1H-isoindole-1,3(2H)-dione
CID 617138
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]sulfonylacetamide
CID 680996
4-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-isopropyl-benzenesulfonamide
CID 815028
N-tert-Butyl-4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-benzenesulfonamide
CID 1101285
3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-{4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl}propanamide
CID 2937288
6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[4-(piperidin-1-ylsulfonyl)phenyl]hexanamide
CID 3243667
3-(benzenesulfonyl)-N-(1,3-dioxoisoindol-4-yl)propanamide
CID 7189654
3-(benzenesulfonyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 7189656
3-(1,3-dioxoisoindol-2-yl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 9552049

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propane-1-sulfonamide (CID 110352271) is N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propane-1-sulfonamide?
The InChIKey is VGQYOIZZCLGEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-2-10-24(22,23)18-12-6-5-7-13(11-12)19-16(20)14-8-3-4-9-15(14)17(19)21/h3-9,11,18H,2,10H2,1H3.
What are the key properties of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propane-1-sulfonamide?
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propane-1-sulfonamide has a molecular weight of 344.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 110352271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).