2-[3-(dimethylsulfamoylamino)phenyl]-1,3-dioxoisoindole

C16H15N3O4S — CID 110352273

IUPAC2-[3-(dimethylsulfamoylamino)phenyl]-1,3-dioxoisoindole
SMILESCN(C)S(=O)(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C16H15N3O4S/c1-18(2)24(22,23)17-11-6-5-7-12(10-11)19-15(20)13-8-3-4-9-14(13)16(19)21/h3-10,17H,1-2H3
InChIKeyAAGYKEXLYBADOT-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.71
Rot. Bonds4

About 2-[3-(dimethylsulfamoylamino)phenyl]-1,3-dioxoisoindole

2-[3-(dimethylsulfamoylamino)phenyl]-1,3-dioxoisoindole (PubChem CID 110352273) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is 2-[3-(dimethylsulfamoylamino)phenyl]-1,3-dioxoisoindole.

Molecular Properties

Compound Name2-[3-(dimethylsulfamoylamino)phenyl]-1,3-dioxoisoindole
PubChem CID110352273
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC Name2-[3-(dimethylsulfamoylamino)phenyl]-1,3-dioxoisoindole
SMILESCN(C)S(=O)(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C16H15N3O4S/c1-18(2)24(22,23)17-11-6-5-7-12(10-11)19-15(20)13-8-3-4-9-14(13)16(19)21/h3-10,17H,1-2H3
InChIKeyAAGYKEXLYBADOT-UHFFFAOYSA-N
XLogP1.71
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.71
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

N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propane-1-sulfonamide
CID 110352271
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]benzenesulfonamide
CID 110352274
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-propan-2-ylsulfonylpropanamide
CID 56507418
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,2-dimethylpropanamide
CID 960947
1-(dimethylsulfamoylamino)-3-iodobenzene
CID 60582672
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(ethylsulfonylamino)benzamide
CID 56509709
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 56509582
3-(1,3-dioxoisoindol-2-yl)benzenesulfonic acid
CID 168515939
N-(3-chlorophenyl)-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide
CID 91937827
N-[5-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]methanesulfonamide
CID 110352312
1-(dimethylsulfamoylamino)-3-nitrobenzene
CID 721778
2-[3-[[3-(1,3-dioxoisoindol-2-yl)phenyl]disulfanyl]phenyl]isoindole-1,3-dione
CID 91745874

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylsulfamoylamino)phenyl]-1,3-dioxoisoindole?
The IUPAC name of 2-[3-(dimethylsulfamoylamino)phenyl]-1,3-dioxoisoindole (CID 110352273) is 2-[3-(dimethylsulfamoylamino)phenyl]-1,3-dioxoisoindole.
What is the SMILES notation for 2-[3-(dimethylsulfamoylamino)phenyl]-1,3-dioxoisoindole?
The canonical SMILES for 2-[3-(dimethylsulfamoylamino)phenyl]-1,3-dioxoisoindole is CN(C)S(=O)(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 2-[3-(dimethylsulfamoylamino)phenyl]-1,3-dioxoisoindole?
The InChIKey is AAGYKEXLYBADOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-18(2)24(22,23)17-11-6-5-7-12(10-11)19-15(20)13-8-3-4-9-14(13)16(19)21/h3-10,17H,1-2H3.
What are the key properties of 2-[3-(dimethylsulfamoylamino)phenyl]-1,3-dioxoisoindole?
2-[3-(dimethylsulfamoylamino)phenyl]-1,3-dioxoisoindole has a molecular weight of 345.38 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylsulfamoylamino)phenyl]-1,3-dioxoisoindole is sourced from PubChem (CID 110352273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).