2-[2-[4-(propan-2-ylsulfamoylamino)phenyl]ethyl]isoindole-1,3-dione

C19H21N3O4S — CID 110632884

IUPAC2-[2-[4-(propan-2-ylsulfamoylamino)phenyl]ethyl]isoindole-1,3-dione
SMILESCC(C)NS(=O)(=O)Nc1ccc(CCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C19H21N3O4S/c1-13(2)20-27(25,26)21-15-9-7-14(8-10-15)11-12-22-18(23)16-5-3-4-6-17(16)19(22)24/h3-10,13,20-21H,11-12H2,1-2H3
InChIKeyTXRDFCDHAYEJMW-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.18
Rot. Bonds7

About 2-[2-[4-(propan-2-ylsulfamoylamino)phenyl]ethyl]isoindole-1,3-dione

2-[2-[4-(propan-2-ylsulfamoylamino)phenyl]ethyl]isoindole-1,3-dione (PubChem CID 110632884) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-[2-[4-(propan-2-ylsulfamoylamino)phenyl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[4-(propan-2-ylsulfamoylamino)phenyl]ethyl]isoindole-1,3-dione
PubChem CID110632884
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name2-[2-[4-(propan-2-ylsulfamoylamino)phenyl]ethyl]isoindole-1,3-dione
SMILESCC(C)NS(=O)(=O)Nc1ccc(CCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C19H21N3O4S/c1-13(2)20-27(25,26)21-15-9-7-14(8-10-15)11-12-22-18(23)16-5-3-4-6-17(16)19(22)24/h3-10,13,20-21H,11-12H2,1-2H3
InChIKeyTXRDFCDHAYEJMW-UHFFFAOYSA-N
XLogP2.18
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]cyclopentanesulfonamide
CID 110311233
2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)ethanesulfonamide
CID 617178
2-[2-(4-aminophenyl)ethyl]isoindole-1,3-dione
CID 10849371
2-[2-(4-sulfanylphenyl)ethyl]isoindole-1,3-dione
CID 53469378
4-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]-N-(4-ethylphenyl)benzenesulfonamide
CID 20914164
4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-prop-2-ynylbenzenesulfonamide
CID 155294818
3-(1,3-dioxoisoindol-2-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 8752768
2-(1,3-dioxoisoindol-2-yl)-N-(4-iodophenyl)ethanesulfonamide
CID 45379603
2-[2-(4-phenoxyphenyl)ethyl]isoindole-1,3-dione
CID 57228400
2-[2-[4-[(E)-2-phenylethenyl]phenyl]ethyl]isoindole-1,3-dione
CID 15036635
4-acetyl-2-[[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]sulfonylamino]-5-methylfuran-3-carboxamide
CID 108782846
N-(3,4-dimethylphenyl)-4-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]benzenesulfonamide
CID 20914188

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(propan-2-ylsulfamoylamino)phenyl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[4-(propan-2-ylsulfamoylamino)phenyl]ethyl]isoindole-1,3-dione (CID 110632884) is 2-[2-[4-(propan-2-ylsulfamoylamino)phenyl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[4-(propan-2-ylsulfamoylamino)phenyl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[4-(propan-2-ylsulfamoylamino)phenyl]ethyl]isoindole-1,3-dione is CC(C)NS(=O)(=O)Nc1ccc(CCN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-[2-[4-(propan-2-ylsulfamoylamino)phenyl]ethyl]isoindole-1,3-dione?
The InChIKey is TXRDFCDHAYEJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-13(2)20-27(25,26)21-15-9-7-14(8-10-15)11-12-22-18(23)16-5-3-4-6-17(16)19(22)24/h3-10,13,20-21H,11-12H2,1-2H3.
What are the key properties of 2-[2-[4-(propan-2-ylsulfamoylamino)phenyl]ethyl]isoindole-1,3-dione?
2-[2-[4-(propan-2-ylsulfamoylamino)phenyl]ethyl]isoindole-1,3-dione has a molecular weight of 387.46 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(propan-2-ylsulfamoylamino)phenyl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 110632884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).