5-amino-2-[2-(4-amino-2-sulfinooxyphenyl)ethenyl]benzenesulfonic acid

C14H14N2O6S2 — CID 59922448

IUPAC5-amino-2-[2-(4-amino-2-sulfinooxyphenyl)ethenyl]benzenesulfonic acid
SMILESNc1ccc(C=Cc2ccc(N)cc2S(=O)(=O)O)c(OS(=O)O)c1
InChIInChI=1S/C14H14N2O6S2/c15-11-5-3-9(13(7-11)22-23(17)18)1-2-10-4-6-12(16)8-14(10)24(19,20)21/h1-8H,15-16H2,(H,17,18)(H,19,20,21)
InChIKeyDURKHQFKKRAWEO-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.78
Rot. Bonds5

About 5-amino-2-[2-(4-amino-2-sulfinooxyphenyl)ethenyl]benzenesulfonic acid

5-amino-2-[2-(4-amino-2-sulfinooxyphenyl)ethenyl]benzenesulfonic acid (PubChem CID 59922448) has the molecular formula C14H14N2O6S2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 5-amino-2-[2-(4-amino-2-sulfinooxyphenyl)ethenyl]benzenesulfonic acid.

Molecular Properties

Compound Name5-amino-2-[2-(4-amino-2-sulfinooxyphenyl)ethenyl]benzenesulfonic acid
PubChem CID59922448
Molecular FormulaC14H14N2O6S2
Molecular Weight370.41 g/mol
Exact Mass370.03
IUPAC Name5-amino-2-[2-(4-amino-2-sulfinooxyphenyl)ethenyl]benzenesulfonic acid
SMILESNc1ccc(C=Cc2ccc(N)cc2S(=O)(=O)O)c(OS(=O)O)c1
InChIInChI=1S/C14H14N2O6S2/c15-11-5-3-9(13(7-11)22-23(17)18)1-2-10-4-6-12(16)8-14(10)24(19,20)21/h1-8H,15-16H2,(H,17,18)(H,19,20,21)
InChIKeyDURKHQFKKRAWEO-UHFFFAOYSA-N
XLogP1.78
TPSA152.94 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-[(E)-2-(5-amino-2-sulfophenyl)ethenyl]benzenesulfonic acid
CID 159487607
5-amino-2-[2-(3-aminophenyl)ethenyl]benzenesulfonic acid
CID 172811149
2-amino-5-[2-(4-amino-2-sulfophenyl)ethenyl]benzenesulfonic acid
CID 23755
5-amino-2-[2-(4-amino-2-sulfophenyl)ethenyl]benzenesulfonic acid;2H-tetrazole;hydrochloride
CID 173433011
5-[[4,6-bis(2,3-dihydroxypropylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4,6-bis(2,3-dihydroxypropylamino)-1,3,5-triazin-2-yl]amino]-2-sulfinooxyphenyl]ethenyl]benzenesulfonic acid
CID 21365595
5-amino-2-[2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonate
CID 3330285
5-amino-2-[2-(4-amino-2-sulfocyclohexa-1,5-dien-1-yl)ethenyl]benzenesulfonic acid
CID 123797883
5-amino-2-[(E)-2-(4-benzamidophenyl)ethenyl]benzenesulfonic acid
CID 19734786
3-amino-6-[2-(4-amino-2-sulfophenyl)ethenyl]-2-butylbenzenesulfonic acid
CID 175969185
[5-amino-2-[2-[4-amino-2-(benzenesulfonyloxy)phenyl]ethenyl]phenyl] benzenesulfonate
CID 2749007
2-[(E)-2-(4-aminophenyl)ethenyl]benzenesulfonic acid
CID 11448748
5-amino-2-[2-(4-amino-2-sulfophenyl)ethyl]benzenesulfonic acid
CID 5134319

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-(4-amino-2-sulfinooxyphenyl)ethenyl]benzenesulfonic acid?
The IUPAC name of 5-amino-2-[2-(4-amino-2-sulfinooxyphenyl)ethenyl]benzenesulfonic acid (CID 59922448) is 5-amino-2-[2-(4-amino-2-sulfinooxyphenyl)ethenyl]benzenesulfonic acid.
What is the SMILES notation for 5-amino-2-[2-(4-amino-2-sulfinooxyphenyl)ethenyl]benzenesulfonic acid?
The canonical SMILES for 5-amino-2-[2-(4-amino-2-sulfinooxyphenyl)ethenyl]benzenesulfonic acid is Nc1ccc(C=Cc2ccc(N)cc2S(=O)(=O)O)c(OS(=O)O)c1.
What is the InChIKey of 5-amino-2-[2-(4-amino-2-sulfinooxyphenyl)ethenyl]benzenesulfonic acid?
The InChIKey is DURKHQFKKRAWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O6S2/c15-11-5-3-9(13(7-11)22-23(17)18)1-2-10-4-6-12(16)8-14(10)24(19,20)21/h1-8H,15-16H2,(H,17,18)(H,19,20,21).
What are the key properties of 5-amino-2-[2-(4-amino-2-sulfinooxyphenyl)ethenyl]benzenesulfonic acid?
5-amino-2-[2-(4-amino-2-sulfinooxyphenyl)ethenyl]benzenesulfonic acid has a molecular weight of 370.41 g/mol, XLogP of 1.78, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2-(4-amino-2-sulfinooxyphenyl)ethenyl]benzenesulfonic acid is sourced from PubChem (CID 59922448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).