5-amino-2-(3-cyanophenoxy)benzenesulfonamide

C13H11N3O3S — CID 78985266

IUPAC5-amino-2-(3-cyanophenoxy)benzenesulfonamide
SMILESN#Cc1cccc(Oc2ccc(N)cc2S(N)(=O)=O)c1
InChIInChI=1S/C13H11N3O3S/c14-8-9-2-1-3-11(6-9)19-12-5-4-10(15)7-13(12)20(16,17)18/h1-7H,15H2,(H2,16,17,18)
InChIKeyGPSYFCPBXNYDLG-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.58
Rot. Bonds3

About 5-amino-2-(3-cyanophenoxy)benzenesulfonamide

5-amino-2-(3-cyanophenoxy)benzenesulfonamide (PubChem CID 78985266) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is 5-amino-2-(3-cyanophenoxy)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-(3-cyanophenoxy)benzenesulfonamide
PubChem CID78985266
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC Name5-amino-2-(3-cyanophenoxy)benzenesulfonamide
SMILESN#Cc1cccc(Oc2ccc(N)cc2S(N)(=O)=O)c1
InChIInChI=1S/C13H11N3O3S/c14-8-9-2-1-3-11(6-9)19-12-5-4-10(15)7-13(12)20(16,17)18/h1-7H,15H2,(H2,16,17,18)
InChIKeyGPSYFCPBXNYDLG-UHFFFAOYSA-N
XLogP1.58
TPSA119.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.58
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 5-amino-2-(3-cyanophenoxy)benzenesulfonamide?
The IUPAC name of 5-amino-2-(3-cyanophenoxy)benzenesulfonamide (CID 78985266) is 5-amino-2-(3-cyanophenoxy)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-(3-cyanophenoxy)benzenesulfonamide?
The canonical SMILES for 5-amino-2-(3-cyanophenoxy)benzenesulfonamide is N#Cc1cccc(Oc2ccc(N)cc2S(N)(=O)=O)c1.
What is the InChIKey of 5-amino-2-(3-cyanophenoxy)benzenesulfonamide?
The InChIKey is GPSYFCPBXNYDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S/c14-8-9-2-1-3-11(6-9)19-12-5-4-10(15)7-13(12)20(16,17)18/h1-7H,15H2,(H2,16,17,18).
What are the key properties of 5-amino-2-(3-cyanophenoxy)benzenesulfonamide?
5-amino-2-(3-cyanophenoxy)benzenesulfonamide has a molecular weight of 289.32 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-cyanophenoxy)benzenesulfonamide is sourced from PubChem (CID 78985266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).