N-(3-hydroxypropyl)-1,3-dioxoisoindole-5-sulfonamide

C11H12N2O5S — CID 100820371

IUPACN-(3-hydroxypropyl)-1,3-dioxoisoindole-5-sulfonamide
SMILESO=C1NC(=O)c2cc(S(=O)(=O)NCCCO)ccc21
InChIInChI=1S/C11H12N2O5S/c14-5-1-4-12-19(17,18)7-2-3-8-9(6-7)11(16)13-10(8)15/h2-3,6,12,14H,1,4-5H2,(H,13,15,16)
InChIKeyHVCKNPUPUQKSEE-UHFFFAOYSA-N
MW284.29 g/mol
LogP-0.77
Rot. Bonds5

About N-(3-hydroxypropyl)-1,3-dioxoisoindole-5-sulfonamide

N-(3-hydroxypropyl)-1,3-dioxoisoindole-5-sulfonamide (PubChem CID 100820371) has the molecular formula C11H12N2O5S and a molecular weight of 284.29 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-1,3-dioxoisoindole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-1,3-dioxoisoindole-5-sulfonamide
PubChem CID100820371
Molecular FormulaC11H12N2O5S
Molecular Weight284.29 g/mol
Exact Mass284.05
IUPAC NameN-(3-hydroxypropyl)-1,3-dioxoisoindole-5-sulfonamide
SMILESO=C1NC(=O)c2cc(S(=O)(=O)NCCCO)ccc21
InChIInChI=1S/C11H12N2O5S/c14-5-1-4-12-19(17,18)7-2-3-8-9(6-7)11(16)13-10(8)15/h2-3,6,12,14H,1,4-5H2,(H,13,15,16)
InChIKeyHVCKNPUPUQKSEE-UHFFFAOYSA-N
XLogP-0.77
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(1,3-dioxoisoindol-5-yl)sulfonylamino]butanoic acid
CID 100820374
2-N,7-N-bis(3-hydroxypropyl)-9H-fluorene-2,7-disulfonamide
CID 654673
4-N-(3-hydroxypropyl)-1-N-methylbenzene-1,4-disulfonamide
CID 43501515
4-chloro-N-(3-hydroxypropyl)benzenesulfonamide
CID 5127490
4-(aminomethyl)-N-(3-hydroxypropyl)benzenesulfonamide
CID 102537257
1,3-dioxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]isoindole-5-sulfonamide
CID 56586873
2-N,7-N-dioctadecyl-9-oxofluorene-2,7-disulfonamide
CID 3417830
4-ethenyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 67924061
2-methyl-N-[3-(methylamino)propyl]-1,3-dioxoisoindole-5-sulfonamide
CID 119965032
1,3-dioxo-N-(2,4,6-trimethylphenyl)isoindole-5-sulfonamide
CID 98986189
3-amino-4-hydroxy-N-(4-hydroxybutyl)benzenesulfonamide
CID 106840203
3,4-bis[4-(4,4,5,5,6,6,6-heptafluoro-3-oxohexanoyl)phenyl]-N-(3-hydroxypropyl)benzenesulfonamide
CID 11411848

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-1,3-dioxoisoindole-5-sulfonamide?
The IUPAC name of N-(3-hydroxypropyl)-1,3-dioxoisoindole-5-sulfonamide (CID 100820371) is N-(3-hydroxypropyl)-1,3-dioxoisoindole-5-sulfonamide.
What is the SMILES notation for N-(3-hydroxypropyl)-1,3-dioxoisoindole-5-sulfonamide?
The canonical SMILES for N-(3-hydroxypropyl)-1,3-dioxoisoindole-5-sulfonamide is O=C1NC(=O)c2cc(S(=O)(=O)NCCCO)ccc21.
What is the InChIKey of N-(3-hydroxypropyl)-1,3-dioxoisoindole-5-sulfonamide?
The InChIKey is HVCKNPUPUQKSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5S/c14-5-1-4-12-19(17,18)7-2-3-8-9(6-7)11(16)13-10(8)15/h2-3,6,12,14H,1,4-5H2,(H,13,15,16).
What are the key properties of N-(3-hydroxypropyl)-1,3-dioxoisoindole-5-sulfonamide?
N-(3-hydroxypropyl)-1,3-dioxoisoindole-5-sulfonamide has a molecular weight of 284.29 g/mol, XLogP of -0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-1,3-dioxoisoindole-5-sulfonamide is sourced from PubChem (CID 100820371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).