2,3-diaminobenzenesulfonamide

C6H9N3O2S — CID 19375460

IUPAC2,3-diaminobenzenesulfonamide
SMILESNc1cccc(S(N)(=O)=O)c1N
InChIInChI=1S/C6H9N3O2S/c7-4-2-1-3-5(6(4)8)12(9,10)11/h1-3H,7-8H2,(H2,9,10,11)
InChIKeyXYDLQHCWLVSLIN-UHFFFAOYSA-N
MW187.22 g/mol
LogP-0.50
Rot. Bonds1

About 2,3-diaminobenzenesulfonamide

2,3-diaminobenzenesulfonamide (PubChem CID 19375460) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is 2,3-diaminobenzenesulfonamide.

Molecular Properties

Compound Name2,3-diaminobenzenesulfonamide
PubChem CID19375460
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC Name2,3-diaminobenzenesulfonamide
SMILESNc1cccc(S(N)(=O)=O)c1N
InChIInChI=1S/C6H9N3O2S/c7-4-2-1-3-5(6(4)8)12(9,10)11/h1-3H,7-8H2,(H2,9,10,11)
InChIKeyXYDLQHCWLVSLIN-UHFFFAOYSA-N
XLogP-0.50
TPSA112.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-diaminobenzenesulfonamide?
The IUPAC name of 2,3-diaminobenzenesulfonamide (CID 19375460) is 2,3-diaminobenzenesulfonamide.
What is the SMILES notation for 2,3-diaminobenzenesulfonamide?
The canonical SMILES for 2,3-diaminobenzenesulfonamide is Nc1cccc(S(N)(=O)=O)c1N.
What is the InChIKey of 2,3-diaminobenzenesulfonamide?
The InChIKey is XYDLQHCWLVSLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c7-4-2-1-3-5(6(4)8)12(9,10)11/h1-3H,7-8H2,(H2,9,10,11).
What are the key properties of 2,3-diaminobenzenesulfonamide?
2,3-diaminobenzenesulfonamide has a molecular weight of 187.22 g/mol, XLogP of -0.50, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diaminobenzenesulfonamide is sourced from PubChem (CID 19375460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).