2-amino-4-pyridin-3-yloxybenzenesulfonamide

C11H11N3O3S — CID 79467523

IUPAC2-amino-4-pyridin-3-yloxybenzenesulfonamide
SMILESNc1cc(Oc2cccnc2)ccc1S(N)(=O)=O
InChIInChI=1S/C11H11N3O3S/c12-10-6-8(3-4-11(10)18(13,15)16)17-9-2-1-5-14-7-9/h1-7H,12H2,(H2,13,15,16)
InChIKeyXDXNHLHJENGPEW-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.10
Rot. Bonds3

About 2-amino-4-pyridin-3-yloxybenzenesulfonamide

2-amino-4-pyridin-3-yloxybenzenesulfonamide (PubChem CID 79467523) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is 2-amino-4-pyridin-3-yloxybenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-pyridin-3-yloxybenzenesulfonamide
PubChem CID79467523
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Name2-amino-4-pyridin-3-yloxybenzenesulfonamide
SMILESNc1cc(Oc2cccnc2)ccc1S(N)(=O)=O
InChIInChI=1S/C11H11N3O3S/c12-10-6-8(3-4-11(10)18(13,15)16)17-9-2-1-5-14-7-9/h1-7H,12H2,(H2,13,15,16)
InChIKeyXDXNHLHJENGPEW-UHFFFAOYSA-N
XLogP1.10
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.10
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 2-amino-4-pyridin-3-yloxybenzenesulfonamide?
The IUPAC name of 2-amino-4-pyridin-3-yloxybenzenesulfonamide (CID 79467523) is 2-amino-4-pyridin-3-yloxybenzenesulfonamide.
What is the SMILES notation for 2-amino-4-pyridin-3-yloxybenzenesulfonamide?
The canonical SMILES for 2-amino-4-pyridin-3-yloxybenzenesulfonamide is Nc1cc(Oc2cccnc2)ccc1S(N)(=O)=O.
What is the InChIKey of 2-amino-4-pyridin-3-yloxybenzenesulfonamide?
The InChIKey is XDXNHLHJENGPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c12-10-6-8(3-4-11(10)18(13,15)16)17-9-2-1-5-14-7-9/h1-7H,12H2,(H2,13,15,16).
What are the key properties of 2-amino-4-pyridin-3-yloxybenzenesulfonamide?
2-amino-4-pyridin-3-yloxybenzenesulfonamide has a molecular weight of 265.29 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-pyridin-3-yloxybenzenesulfonamide is sourced from PubChem (CID 79467523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).