6-amino-1,3-benzodioxole-5-sulfonamide

C7H8N2O4S — CID 130018278

IUPAC6-amino-1,3-benzodioxole-5-sulfonamide
SMILESNc1cc2c(cc1S(N)(=O)=O)OCO2
InChIInChI=1S/C7H8N2O4S/c8-4-1-5-6(13-3-12-5)2-7(4)14(9,10)11/h1-2H,3,8H2,(H2,9,10,11)
InChIKeyQYXPYTMWJWTOFY-UHFFFAOYSA-N
MW216.22 g/mol
LogP-0.36
Rot. Bonds1

About 6-amino-1,3-benzodioxole-5-sulfonamide

6-amino-1,3-benzodioxole-5-sulfonamide (PubChem CID 130018278) has the molecular formula C7H8N2O4S and a molecular weight of 216.22 g/mol. Its IUPAC name is 6-amino-1,3-benzodioxole-5-sulfonamide.

Molecular Properties

Compound Name6-amino-1,3-benzodioxole-5-sulfonamide
PubChem CID130018278
Molecular FormulaC7H8N2O4S
Molecular Weight216.22 g/mol
Exact Mass216.02
IUPAC Name6-amino-1,3-benzodioxole-5-sulfonamide
SMILESNc1cc2c(cc1S(N)(=O)=O)OCO2
InChIInChI=1S/C7H8N2O4S/c8-4-1-5-6(13-3-12-5)2-7(4)14(9,10)11/h1-2H,3,8H2,(H2,9,10,11)
InChIKeyQYXPYTMWJWTOFY-UHFFFAOYSA-N
XLogP-0.36
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1,3-benzodioxole-5-sulfonamide?
The IUPAC name of 6-amino-1,3-benzodioxole-5-sulfonamide (CID 130018278) is 6-amino-1,3-benzodioxole-5-sulfonamide.
What is the SMILES notation for 6-amino-1,3-benzodioxole-5-sulfonamide?
The canonical SMILES for 6-amino-1,3-benzodioxole-5-sulfonamide is Nc1cc2c(cc1S(N)(=O)=O)OCO2.
What is the InChIKey of 6-amino-1,3-benzodioxole-5-sulfonamide?
The InChIKey is QYXPYTMWJWTOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4S/c8-4-1-5-6(13-3-12-5)2-7(4)14(9,10)11/h1-2H,3,8H2,(H2,9,10,11).
What are the key properties of 6-amino-1,3-benzodioxole-5-sulfonamide?
6-amino-1,3-benzodioxole-5-sulfonamide has a molecular weight of 216.22 g/mol, XLogP of -0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,3-benzodioxole-5-sulfonamide is sourced from PubChem (CID 130018278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).