4-amino-6-hydroxybenzene-1,3-disulfonamide

C6H9N3O5S2 — CID 71414356

IUPAC4-amino-6-hydroxybenzene-1,3-disulfonamide
SMILESNc1cc(O)c(S(N)(=O)=O)cc1S(N)(=O)=O
InChIInChI=1S/C6H9N3O5S2/c7-3-1-4(10)6(16(9,13)14)2-5(3)15(8,11)12/h1-2,10H,7H2,(H2,8,11,12)(H2,9,13,14)
InChIKeyHRSZYCQOVNAYSU-UHFFFAOYSA-N
MW267.29 g/mol
LogP-1.73
Rot. Bonds2

About 4-amino-6-hydroxybenzene-1,3-disulfonamide

4-amino-6-hydroxybenzene-1,3-disulfonamide (PubChem CID 71414356) has the molecular formula C6H9N3O5S2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-amino-6-hydroxybenzene-1,3-disulfonamide.

Molecular Properties

Compound Name4-amino-6-hydroxybenzene-1,3-disulfonamide
PubChem CID71414356
Molecular FormulaC6H9N3O5S2
Molecular Weight267.29 g/mol
Exact Mass267.00
IUPAC Name4-amino-6-hydroxybenzene-1,3-disulfonamide
SMILESNc1cc(O)c(S(N)(=O)=O)cc1S(N)(=O)=O
InChIInChI=1S/C6H9N3O5S2/c7-3-1-4(10)6(16(9,13)14)2-5(3)15(8,11)12/h1-2,10H,7H2,(H2,8,11,12)(H2,9,13,14)
InChIKeyHRSZYCQOVNAYSU-UHFFFAOYSA-N
XLogP-1.73
TPSA166.57 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-1.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-hydroxybenzene-1,3-disulfonamide?
The IUPAC name of 4-amino-6-hydroxybenzene-1,3-disulfonamide (CID 71414356) is 4-amino-6-hydroxybenzene-1,3-disulfonamide.
What is the SMILES notation for 4-amino-6-hydroxybenzene-1,3-disulfonamide?
The canonical SMILES for 4-amino-6-hydroxybenzene-1,3-disulfonamide is Nc1cc(O)c(S(N)(=O)=O)cc1S(N)(=O)=O.
What is the InChIKey of 4-amino-6-hydroxybenzene-1,3-disulfonamide?
The InChIKey is HRSZYCQOVNAYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O5S2/c7-3-1-4(10)6(16(9,13)14)2-5(3)15(8,11)12/h1-2,10H,7H2,(H2,8,11,12)(H2,9,13,14).
What are the key properties of 4-amino-6-hydroxybenzene-1,3-disulfonamide?
4-amino-6-hydroxybenzene-1,3-disulfonamide has a molecular weight of 267.29 g/mol, XLogP of -1.73, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-hydroxybenzene-1,3-disulfonamide is sourced from PubChem (CID 71414356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).