azane;phenoxybenzene;sulfuric acid

C12H15NO5S — CID 66973780

IUPACazane;phenoxybenzene;sulfuric acid
SMILESN.O=S(=O)(O)O.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O.H3N.H2O4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;1-5(2,3)4/h1-10H;1H3;(H2,1,2,3,4)
InChIKeyBBDGRIXEVKTFNM-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.99
Rot. Bonds2

About azane;phenoxybenzene;sulfuric acid

azane;phenoxybenzene;sulfuric acid (PubChem CID 66973780) has the molecular formula C12H15NO5S and a molecular weight of 285.32 g/mol. Its IUPAC name is azane;phenoxybenzene;sulfuric acid.

Molecular Properties

Compound Nameazane;phenoxybenzene;sulfuric acid
PubChem CID66973780
Molecular FormulaC12H15NO5S
Molecular Weight285.32 g/mol
Exact Mass285.07
IUPAC Nameazane;phenoxybenzene;sulfuric acid
SMILESN.O=S(=O)(O)O.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O.H3N.H2O4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;1-5(2,3)4/h1-10H;1H3;(H2,1,2,3,4)
InChIKeyBBDGRIXEVKTFNM-UHFFFAOYSA-N
XLogP2.99
TPSA118.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-phenylethenyl)-4-[4-(2-phenylethenyl)phenoxy]benzene;sulfuric acid
CID 172784219
oxophosphanium;phenoxybenzene
CID 161329594
azane;2-phenoxybenzenesulfonic acid
CID 173031156
potassium phenoxybenzene
CID 19858586
iron;phenoxybenzene
CID 174434720
CID 159259752
CID 159259752
hydroxy(oxo)phosphanium;phenoxybenzene
CID 162014005
boric acid;phenoxybenzene
CID 66799508
potassium;hydride;phenoxybenzene
CID 173391576
anisole;molecular nitrogen;sulfuric acid
CID 174681459
chlorobenzene;phenoxybenzene
CID 66911253
phenoxybenzene;propane-2,2-diol
CID 174556232

Frequently Asked Questions

What is the IUPAC name of azane;phenoxybenzene;sulfuric acid?
The IUPAC name of azane;phenoxybenzene;sulfuric acid (CID 66973780) is azane;phenoxybenzene;sulfuric acid.
What is the SMILES notation for azane;phenoxybenzene;sulfuric acid?
The canonical SMILES for azane;phenoxybenzene;sulfuric acid is N.O=S(=O)(O)O.c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of azane;phenoxybenzene;sulfuric acid?
The InChIKey is BBDGRIXEVKTFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O.H3N.H2O4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;1-5(2,3)4/h1-10H;1H3;(H2,1,2,3,4).
What are the key properties of azane;phenoxybenzene;sulfuric acid?
azane;phenoxybenzene;sulfuric acid has a molecular weight of 285.32 g/mol, XLogP of 2.99, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;phenoxybenzene;sulfuric acid is sourced from PubChem (CID 66973780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).