(2,4-dinitrophenyl)sulfonylazanide;yttrium

C6H4N3O6SY- — CID 58710597

IUPAC(2,4-dinitrophenyl)sulfonylazanide;yttrium
SMILES[NH-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-].[Y]
InChIInChI=1S/C6H4N3O6S.Y/c7-16(14,15)6-2-1-4(8(10)11)3-5(6)9(12)13;/h1-3H,(H-,7,14,15);/q-1;
InChIKeyZOQFUTCGBKSNDS-UHFFFAOYSA-N
MW335.09 g/mol
LogP1.24
Rot. Bonds3

About (2,4-dinitrophenyl)sulfonylazanide;yttrium

(2,4-dinitrophenyl)sulfonylazanide;yttrium (PubChem CID 58710597) has the molecular formula C6H4N3O6SY- and a molecular weight of 335.09 g/mol. Its IUPAC name is (2,4-dinitrophenyl)sulfonylazanide;yttrium.

Molecular Properties

Compound Name(2,4-dinitrophenyl)sulfonylazanide;yttrium
PubChem CID58710597
Molecular FormulaC6H4N3O6SY-
Molecular Weight335.09 g/mol
Exact Mass334.89
IUPAC Name(2,4-dinitrophenyl)sulfonylazanide;yttrium
SMILES[NH-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-].[Y]
InChIInChI=1S/C6H4N3O6S.Y/c7-16(14,15)6-2-1-4(8(10)11)3-5(6)9(12)13;/h1-3H,(H-,7,14,15);/q-1;
InChIKeyZOQFUTCGBKSNDS-UHFFFAOYSA-N
XLogP1.24
TPSA144.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.09
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-dinitro-1-(4-nitrophenyl)sulfonylbenzene
CID 611987
iodo 2,4-dinitrobenzenesulfonate
CID 141193318
2,4-dinitrobenzenesulfonohydrazide
CID 12561635
2,4-dinitro-1-(trinitromethylsulfonyl)benzene
CID 71443667
(2-nitrophenyl)sulfonylazanide;uranium
CID 169307604
2-chloroethyl 2,4-dinitrobenzenesulfonate
CID 4139852
2-(2,4-dinitrophenyl)sulfonylbenzene-1,3-diamine
CID 175087737
2-(2,4-dinitrophenyl)sulfonylnaphthalene
CID 3090496
4-(2,4-dinitrophenyl)sulfonyl-N,N-dimethylaniline
CID 4661592
2,4-dinitro-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 14616990
azane;2,4-dinitrophenol;hydrate
CID 174664401
1-[(E)-4-chlorobut-2-enyl]sulfonyl-2,4-dinitrobenzene
CID 5382603

Frequently Asked Questions

What is the IUPAC name of (2,4-dinitrophenyl)sulfonylazanide;yttrium?
The IUPAC name of (2,4-dinitrophenyl)sulfonylazanide;yttrium (CID 58710597) is (2,4-dinitrophenyl)sulfonylazanide;yttrium.
What is the SMILES notation for (2,4-dinitrophenyl)sulfonylazanide;yttrium?
The canonical SMILES for (2,4-dinitrophenyl)sulfonylazanide;yttrium is [NH-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-].[Y].
What is the InChIKey of (2,4-dinitrophenyl)sulfonylazanide;yttrium?
The InChIKey is ZOQFUTCGBKSNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N3O6S.Y/c7-16(14,15)6-2-1-4(8(10)11)3-5(6)9(12)13;/h1-3H,(H-,7,14,15);/q-1;.
What are the key properties of (2,4-dinitrophenyl)sulfonylazanide;yttrium?
(2,4-dinitrophenyl)sulfonylazanide;yttrium has a molecular weight of 335.09 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dinitrophenyl)sulfonylazanide;yttrium is sourced from PubChem (CID 58710597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).