N-(4-aminophenyl)sulfonyl-2-(1,3-dioxoisoindol-2-yl)propanamide

C17H15N3O5S — CID 127111058

IUPACN-(4-aminophenyl)sulfonyl-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCC(C(=O)NS(=O)(=O)c1ccc(N)cc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H15N3O5S/c1-10(20-16(22)13-4-2-3-5-14(13)17(20)23)15(21)19-26(24,25)12-8-6-11(18)7-9-12/h2-10H,18H2,1H3,(H,19,21)
InChIKeyGCIWHJKGSFNTSW-UHFFFAOYSA-N
MW373.39 g/mol
LogP0.76
Rot. Bonds4

About N-(4-aminophenyl)sulfonyl-2-(1,3-dioxoisoindol-2-yl)propanamide

N-(4-aminophenyl)sulfonyl-2-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 127111058) has the molecular formula C17H15N3O5S and a molecular weight of 373.39 g/mol. Its IUPAC name is N-(4-aminophenyl)sulfonyl-2-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)sulfonyl-2-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID127111058
Molecular FormulaC17H15N3O5S
Molecular Weight373.39 g/mol
Exact Mass373.07
IUPAC NameN-(4-aminophenyl)sulfonyl-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCC(C(=O)NS(=O)(=O)c1ccc(N)cc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H15N3O5S/c1-10(20-16(22)13-4-2-3-5-14(13)17(20)23)15(21)19-26(24,25)12-8-6-11(18)7-9-12/h2-10H,18H2,1H3,(H,19,21)
InChIKeyGCIWHJKGSFNTSW-UHFFFAOYSA-N
XLogP0.76
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)propanehydrazide
CID 23761283
N-(4-aminophenyl)sulfonyl-2-methylbutanamide
CID 166288677
2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonyl-3-phenylpropanamide
CID 24802467
(2S)-N-[4-(dimethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 8917851
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide
CID 767136
potassium 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 19205374
tetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)propanoate);bis(rhodium(2+))
CID 56647031
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 680388
2-(3-oxobutan-2-yl)isoindole-1,3-dione
CID 12910747
2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide
CID 2877850
methyl (2S)-2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)propanoyl]amino]-3-methylbutanoate
CID 101224489
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]sulfonylacetamide
CID 680996

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)sulfonyl-2-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-(4-aminophenyl)sulfonyl-2-(1,3-dioxoisoindol-2-yl)propanamide (CID 127111058) is N-(4-aminophenyl)sulfonyl-2-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-(4-aminophenyl)sulfonyl-2-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-(4-aminophenyl)sulfonyl-2-(1,3-dioxoisoindol-2-yl)propanamide is CC(C(=O)NS(=O)(=O)c1ccc(N)cc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(4-aminophenyl)sulfonyl-2-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is GCIWHJKGSFNTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5S/c1-10(20-16(22)13-4-2-3-5-14(13)17(20)23)15(21)19-26(24,25)12-8-6-11(18)7-9-12/h2-10H,18H2,1H3,(H,19,21).
What are the key properties of N-(4-aminophenyl)sulfonyl-2-(1,3-dioxoisoindol-2-yl)propanamide?
N-(4-aminophenyl)sulfonyl-2-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 373.39 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)sulfonyl-2-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 127111058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).