3-amino-4-[2-(2-amino-4-sulfophenyl)hydrazinyl]benzenesulfonic acid

C12H14N4O6S2 — CID 2749936

IUPAC3-amino-4-[2-(2-amino-4-sulfophenyl)hydrazinyl]benzenesulfonic acid
SMILESNc1cc(S(=O)(=O)O)ccc1NNc1ccc(S(=O)(=O)O)cc1N
InChIInChI=1S/C12H14N4O6S2/c13-9-5-7(23(17,18)19)1-3-11(9)15-16-12-4-2-8(6-10(12)14)24(20,21)22/h1-6,15-16H,13-14H2,(H,17,18,19)(H,20,21,22)
InChIKeyRUYFAOCCPNIMPZ-UHFFFAOYSA-N
MW374.40 g/mol
LogP0.78
Rot. Bonds5

About 3-amino-4-[2-(2-amino-4-sulfophenyl)hydrazinyl]benzenesulfonic acid

3-amino-4-[2-(2-amino-4-sulfophenyl)hydrazinyl]benzenesulfonic acid (PubChem CID 2749936) has the molecular formula C12H14N4O6S2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 3-amino-4-[2-(2-amino-4-sulfophenyl)hydrazinyl]benzenesulfonic acid.

Molecular Properties

Compound Name3-amino-4-[2-(2-amino-4-sulfophenyl)hydrazinyl]benzenesulfonic acid
PubChem CID2749936
Molecular FormulaC12H14N4O6S2
Molecular Weight374.40 g/mol
Exact Mass374.04
IUPAC Name3-amino-4-[2-(2-amino-4-sulfophenyl)hydrazinyl]benzenesulfonic acid
SMILESNc1cc(S(=O)(=O)O)ccc1NNc1ccc(S(=O)(=O)O)cc1N
InChIInChI=1S/C12H14N4O6S2/c13-9-5-7(23(17,18)19)1-3-11(9)15-16-12-4-2-8(6-10(12)14)24(20,21)22/h1-6,15-16H,13-14H2,(H,17,18,19)(H,20,21,22)
InChIKeyRUYFAOCCPNIMPZ-UHFFFAOYSA-N
XLogP0.78
TPSA184.84 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.40
LogP ≤ 50.78
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-(2,3-dibromopropanoylamino)benzenesulfonic acid
CID 18546708
8-amino-5-formamidonaphthalene-2-sulfonic acid
CID 144827054
5-amino-8-formamidonaphthalene-2-sulfonic acid
CID 145276006
4-amino-3-bromobenzenesulfonic acid
CID 18398323
2-aminobenzene-1,4-disulfonic acid;4-aminobenzene-1,3-disulfonic acid
CID 88725351
3-amino-4-propan-2-ylbenzenesulfonic acid
CID 139685874
4-[2,4-diamino-5-(4-aminoanilino)anilino]benzenesulfonic acid
CID 152936105
4-[2-(4-amino-5,6,7,8-tetrahydronaphthalen-1-yl)hydrazinyl]benzenesulfonic acid
CID 143181855
4-amino-3-(hydrazinecarbonyl)benzenesulfonic acid
CID 131492484
3-amino-4-methoxybenzenesulfonic acid;molecular nitrogen
CID 175429232
sodium 2-amino-5-sulfobenzenesulfonate
CID 53470623
magnesium;5-aminonaphthalene-2-sulfonic acid;hydride
CID 175063134

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[2-(2-amino-4-sulfophenyl)hydrazinyl]benzenesulfonic acid?
The IUPAC name of 3-amino-4-[2-(2-amino-4-sulfophenyl)hydrazinyl]benzenesulfonic acid (CID 2749936) is 3-amino-4-[2-(2-amino-4-sulfophenyl)hydrazinyl]benzenesulfonic acid.
What is the SMILES notation for 3-amino-4-[2-(2-amino-4-sulfophenyl)hydrazinyl]benzenesulfonic acid?
The canonical SMILES for 3-amino-4-[2-(2-amino-4-sulfophenyl)hydrazinyl]benzenesulfonic acid is Nc1cc(S(=O)(=O)O)ccc1NNc1ccc(S(=O)(=O)O)cc1N.
What is the InChIKey of 3-amino-4-[2-(2-amino-4-sulfophenyl)hydrazinyl]benzenesulfonic acid?
The InChIKey is RUYFAOCCPNIMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O6S2/c13-9-5-7(23(17,18)19)1-3-11(9)15-16-12-4-2-8(6-10(12)14)24(20,21)22/h1-6,15-16H,13-14H2,(H,17,18,19)(H,20,21,22).
What are the key properties of 3-amino-4-[2-(2-amino-4-sulfophenyl)hydrazinyl]benzenesulfonic acid?
3-amino-4-[2-(2-amino-4-sulfophenyl)hydrazinyl]benzenesulfonic acid has a molecular weight of 374.40 g/mol, XLogP of 0.78, 5 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[2-(2-amino-4-sulfophenyl)hydrazinyl]benzenesulfonic acid is sourced from PubChem (CID 2749936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).