acetylazanide;2-methylbenzene-5-ide-1-sulfonamide;yttrium

C9H12N2O3SY-2 — CID 59870138

IUPACacetylazanide;2-methylbenzene-5-ide-1-sulfonamide;yttrium
SMILESCC([NH-])=O.Cc1cc[c-]cc1S(N)(=O)=O.[Y]
InChIInChI=1S/C7H8NO2S.C2H5NO.Y/c1-6-4-2-3-5-7(6)11(8,9)10;1-2(3)4;/h2,4-5H,1H3,(H2,8,9,10);1H3,(H2,3,4);/q-1;;/p-1
InChIKeyYDKHXVQKBUHXIL-UHFFFAOYSA-M
MW317.18 g/mol
LogP1.03
Rot. Bonds1

About acetylazanide;2-methylbenzene-5-ide-1-sulfonamide;yttrium

acetylazanide;2-methylbenzene-5-ide-1-sulfonamide;yttrium (PubChem CID 59870138) has the molecular formula C9H12N2O3SY-2 and a molecular weight of 317.18 g/mol. Its IUPAC name is acetylazanide;2-methylbenzene-5-ide-1-sulfonamide;yttrium.

Molecular Properties

Compound Nameacetylazanide;2-methylbenzene-5-ide-1-sulfonamide;yttrium
PubChem CID59870138
Molecular FormulaC9H12N2O3SY-2
Molecular Weight317.18 g/mol
Exact Mass316.96
IUPAC Nameacetylazanide;2-methylbenzene-5-ide-1-sulfonamide;yttrium
SMILESCC([NH-])=O.Cc1cc[c-]cc1S(N)(=O)=O.[Y]
InChIInChI=1S/C7H8NO2S.C2H5NO.Y/c1-6-4-2-3-5-7(6)11(8,9)10;1-2(3)4;/h2,4-5H,1H3,(H2,8,9,10);1H3,(H2,3,4);/q-1;;/p-1
InChIKeyYDKHXVQKBUHXIL-UHFFFAOYSA-M
XLogP1.03
TPSA101.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetylazanide;2-methylbenzene-5-ide-1-sulfonamide;yttrium?
The IUPAC name of acetylazanide;2-methylbenzene-5-ide-1-sulfonamide;yttrium (CID 59870138) is acetylazanide;2-methylbenzene-5-ide-1-sulfonamide;yttrium.
What is the SMILES notation for acetylazanide;2-methylbenzene-5-ide-1-sulfonamide;yttrium?
The canonical SMILES for acetylazanide;2-methylbenzene-5-ide-1-sulfonamide;yttrium is CC([NH-])=O.Cc1cc[c-]cc1S(N)(=O)=O.[Y].
What is the InChIKey of acetylazanide;2-methylbenzene-5-ide-1-sulfonamide;yttrium?
The InChIKey is YDKHXVQKBUHXIL-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8NO2S.C2H5NO.Y/c1-6-4-2-3-5-7(6)11(8,9)10;1-2(3)4;/h2,4-5H,1H3,(H2,8,9,10);1H3,(H2,3,4);/q-1;;/p-1.
What are the key properties of acetylazanide;2-methylbenzene-5-ide-1-sulfonamide;yttrium?
acetylazanide;2-methylbenzene-5-ide-1-sulfonamide;yttrium has a molecular weight of 317.18 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetylazanide;2-methylbenzene-5-ide-1-sulfonamide;yttrium is sourced from PubChem (CID 59870138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).