N-[3-(2,6-dioxopiperidin-3-yl)oxyphenyl]sulfamoyl fluoride;molecular hydrogen

C11H15FN2O5S — CID 177010392

IUPACN-[3-(2,6-dioxopiperidin-3-yl)oxyphenyl]sulfamoyl fluoride;molecular hydrogen
SMILESO=C1CCC(Oc2cccc(NS(=O)(=O)F)c2)C(=O)N1.[H][H].[H][H]
InChIInChI=1S/C11H11FN2O5S.2H2/c12-20(17,18)14-7-2-1-3-8(6-7)19-9-4-5-10(15)13-11(9)16;;/h1-3,6,9,14H,4-5H2,(H,13,15,16);2*1H
InChIKeyJWGOXDZNMWUVTP-UHFFFAOYSA-N
MW306.31 g/mol
LogP0.99
Rot. Bonds4

About N-[3-(2,6-dioxopiperidin-3-yl)oxyphenyl]sulfamoyl fluoride;molecular hydrogen

N-[3-(2,6-dioxopiperidin-3-yl)oxyphenyl]sulfamoyl fluoride;molecular hydrogen (PubChem CID 177010392) has the molecular formula C11H15FN2O5S and a molecular weight of 306.31 g/mol. Its IUPAC name is N-[3-(2,6-dioxopiperidin-3-yl)oxyphenyl]sulfamoyl fluoride;molecular hydrogen.

Molecular Properties

Compound NameN-[3-(2,6-dioxopiperidin-3-yl)oxyphenyl]sulfamoyl fluoride;molecular hydrogen
PubChem CID177010392
Molecular FormulaC11H15FN2O5S
Molecular Weight306.31 g/mol
Exact Mass306.07
IUPAC NameN-[3-(2,6-dioxopiperidin-3-yl)oxyphenyl]sulfamoyl fluoride;molecular hydrogen
SMILESO=C1CCC(Oc2cccc(NS(=O)(=O)F)c2)C(=O)N1.[H][H].[H][H]
InChIInChI=1S/C11H11FN2O5S.2H2/c12-20(17,18)14-7-2-1-3-8(6-7)19-9-4-5-10(15)13-11(9)16;;/h1-3,6,9,14H,4-5H2,(H,13,15,16);2*1H
InChIKeyJWGOXDZNMWUVTP-UHFFFAOYSA-N
XLogP0.99
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dioxopiperidin-3-yl)oxyphenyl]sulfamoyl fluoride;molecular hydrogen?
The IUPAC name of N-[3-(2,6-dioxopiperidin-3-yl)oxyphenyl]sulfamoyl fluoride;molecular hydrogen (CID 177010392) is N-[3-(2,6-dioxopiperidin-3-yl)oxyphenyl]sulfamoyl fluoride;molecular hydrogen.
What is the SMILES notation for N-[3-(2,6-dioxopiperidin-3-yl)oxyphenyl]sulfamoyl fluoride;molecular hydrogen?
The canonical SMILES for N-[3-(2,6-dioxopiperidin-3-yl)oxyphenyl]sulfamoyl fluoride;molecular hydrogen is O=C1CCC(Oc2cccc(NS(=O)(=O)F)c2)C(=O)N1.[H][H].[H][H].
What is the InChIKey of N-[3-(2,6-dioxopiperidin-3-yl)oxyphenyl]sulfamoyl fluoride;molecular hydrogen?
The InChIKey is JWGOXDZNMWUVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O5S.2H2/c12-20(17,18)14-7-2-1-3-8(6-7)19-9-4-5-10(15)13-11(9)16;;/h1-3,6,9,14H,4-5H2,(H,13,15,16);2*1H.
What are the key properties of N-[3-(2,6-dioxopiperidin-3-yl)oxyphenyl]sulfamoyl fluoride;molecular hydrogen?
N-[3-(2,6-dioxopiperidin-3-yl)oxyphenyl]sulfamoyl fluoride;molecular hydrogen has a molecular weight of 306.31 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dioxopiperidin-3-yl)oxyphenyl]sulfamoyl fluoride;molecular hydrogen is sourced from PubChem (CID 177010392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).