4-[(3-amino-2-pyridinyl)amino]benzenesulfonamide

C11H12N4O2S — CID 28846439

IUPAC4-[(3-amino-2-pyridinyl)amino]benzenesulfonamide
SMILESNc1cccnc1Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H12N4O2S/c12-10-2-1-7-14-11(10)15-8-3-5-9(6-4-8)18(13,16)17/h1-7H,12H2,(H,14,15)(H2,13,16,17)
InChIKeyFOQMMQGYNDRZCQ-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.05
Rot. Bonds3

About 4-[(3-amino-2-pyridinyl)amino]benzenesulfonamide

4-[(3-amino-2-pyridinyl)amino]benzenesulfonamide (PubChem CID 28846439) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 4-[(3-amino-2-pyridinyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(3-amino-2-pyridinyl)amino]benzenesulfonamide
PubChem CID28846439
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name4-[(3-amino-2-pyridinyl)amino]benzenesulfonamide
SMILESNc1cccnc1Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H12N4O2S/c12-10-2-1-7-14-11(10)15-8-3-5-9(6-4-8)18(13,16)17/h1-7H,12H2,(H,14,15)(H2,13,16,17)
InChIKeyFOQMMQGYNDRZCQ-UHFFFAOYSA-N
XLogP1.05
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2-pyridinyl)amino]benzenesulfonamide?
The IUPAC name of 4-[(3-amino-2-pyridinyl)amino]benzenesulfonamide (CID 28846439) is 4-[(3-amino-2-pyridinyl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(3-amino-2-pyridinyl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(3-amino-2-pyridinyl)amino]benzenesulfonamide is Nc1cccnc1Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[(3-amino-2-pyridinyl)amino]benzenesulfonamide?
The InChIKey is FOQMMQGYNDRZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c12-10-2-1-7-14-11(10)15-8-3-5-9(6-4-8)18(13,16)17/h1-7H,12H2,(H,14,15)(H2,13,16,17).
What are the key properties of 4-[(3-amino-2-pyridinyl)amino]benzenesulfonamide?
4-[(3-amino-2-pyridinyl)amino]benzenesulfonamide has a molecular weight of 264.31 g/mol, XLogP of 1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2-pyridinyl)amino]benzenesulfonamide is sourced from PubChem (CID 28846439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).