5-(1,3-dioxoisoindol-2-yl)pentane-1-sulfonyl chloride;thiohydroxylamine

C13H17ClN2O4S2 — CID 145227537

IUPAC5-(1,3-dioxoisoindol-2-yl)pentane-1-sulfonyl chloride;thiohydroxylamine
SMILESNS.O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)Cl
InChIInChI=1S/C13H14ClNO4S.H3NS/c14-20(18,19)9-5-1-4-8-15-12(16)10-6-2-3-7-11(10)13(15)17;1-2/h2-3,6-7H,1,4-5,8-9H2;2H,1H2
InChIKeyARVNLUWXGFTBAB-UHFFFAOYSA-N
MW364.88 g/mol
LogP1.81
Rot. Bonds6

About 5-(1,3-dioxoisoindol-2-yl)pentane-1-sulfonyl chloride;thiohydroxylamine

5-(1,3-dioxoisoindol-2-yl)pentane-1-sulfonyl chloride;thiohydroxylamine (PubChem CID 145227537) has the molecular formula C13H17ClN2O4S2 and a molecular weight of 364.88 g/mol. Its IUPAC name is 5-(1,3-dioxoisoindol-2-yl)pentane-1-sulfonyl chloride;thiohydroxylamine.

Molecular Properties

Compound Name5-(1,3-dioxoisoindol-2-yl)pentane-1-sulfonyl chloride;thiohydroxylamine
PubChem CID145227537
Molecular FormulaC13H17ClN2O4S2
Molecular Weight364.88 g/mol
Exact Mass364.03
IUPAC Name5-(1,3-dioxoisoindol-2-yl)pentane-1-sulfonyl chloride;thiohydroxylamine
SMILESNS.O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)Cl
InChIInChI=1S/C13H14ClNO4S.H3NS/c14-20(18,19)9-5-1-4-8-15-12(16)10-6-2-3-7-11(10)13(15)17;1-2/h2-3,6-7H,1,4-5,8-9H2;2H,1H2
InChIKeyARVNLUWXGFTBAB-UHFFFAOYSA-N
XLogP1.81
TPSA97.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 5-(1,3-dioxoisoindol-2-yl)pentane-1-sulfonyl chloride;thiohydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(1,3-dioxoisoindol-2-yl)propoxy]propane-1-sulfonyl chloride
CID 146599056
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
5-(3-oxo-1H-isoindol-2-yl)pentane-1-sulfonyl chloride
CID 135198294
3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonic acid
CID 3385233
2-(7-bromoheptyl)isoindole-1,3-dione;2-(8-bromooctyl)isoindole-1,3-dione
CID 19698937
CID 88976080
CID 88976080
5-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-methylpentane-1-sulfonamide
CID 138018346
2-[22-(1,3-dioxoisoindol-2-yl)docosa-10,12-dienyl]isoindole-1,3-dione
CID 142691970
[1-[14-(1,3-dioxoisoindol-2-yl)tetradecylsulfonyl]piperidin-4-yl] carbamate
CID 175533409
2-[6-[6-(1,3-dioxoisoindol-2-yl)hexyldisulfanyl]hexyl]isoindole-1,3-dione
CID 15499684
5-(1,3-dioxoisoindol-2-yl)pentanamide
CID 86775352
2-[3-[10-[3-(1,3-dioxoisoindol-2-yl)propylamino]decylamino]propyl]isoindole-1,3-dione
CID 46192998

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dioxoisoindol-2-yl)pentane-1-sulfonyl chloride;thiohydroxylamine?
The IUPAC name of 5-(1,3-dioxoisoindol-2-yl)pentane-1-sulfonyl chloride;thiohydroxylamine (CID 145227537) is 5-(1,3-dioxoisoindol-2-yl)pentane-1-sulfonyl chloride;thiohydroxylamine.
What is the SMILES notation for 5-(1,3-dioxoisoindol-2-yl)pentane-1-sulfonyl chloride;thiohydroxylamine?
The canonical SMILES for 5-(1,3-dioxoisoindol-2-yl)pentane-1-sulfonyl chloride;thiohydroxylamine is NS.O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)Cl.
What is the InChIKey of 5-(1,3-dioxoisoindol-2-yl)pentane-1-sulfonyl chloride;thiohydroxylamine?
The InChIKey is ARVNLUWXGFTBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO4S.H3NS/c14-20(18,19)9-5-1-4-8-15-12(16)10-6-2-3-7-11(10)13(15)17;1-2/h2-3,6-7H,1,4-5,8-9H2;2H,1H2.
What are the key properties of 5-(1,3-dioxoisoindol-2-yl)pentane-1-sulfonyl chloride;thiohydroxylamine?
5-(1,3-dioxoisoindol-2-yl)pentane-1-sulfonyl chloride;thiohydroxylamine has a molecular weight of 364.88 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dioxoisoindol-2-yl)pentane-1-sulfonyl chloride;thiohydroxylamine is sourced from PubChem (CID 145227537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).