4-[(2,6-dibromo-4-pyridinyl)sulfonyl]aniline

C11H8Br2N2O2S — CID 11014674

IUPAC4-[(2,6-dibromo-4-pyridinyl)sulfonyl]aniline
SMILESNc1ccc(S(=O)(=O)c2cc(Br)nc(Br)c2)cc1
InChIInChI=1S/C11H8Br2N2O2S/c12-10-5-9(6-11(13)15-10)18(16,17)8-3-1-7(14)2-4-8/h1-6H,14H2
InChIKeyVVFLAMYJXXXEAN-UHFFFAOYSA-N
MW392.07 g/mol
LogP3.02
Rot. Bonds2

About 4-[(2,6-dibromo-4-pyridinyl)sulfonyl]aniline

4-[(2,6-dibromo-4-pyridinyl)sulfonyl]aniline (PubChem CID 11014674) has the molecular formula C11H8Br2N2O2S and a molecular weight of 392.07 g/mol. Its IUPAC name is 4-[(2,6-dibromo-4-pyridinyl)sulfonyl]aniline.

Molecular Properties

Compound Name4-[(2,6-dibromo-4-pyridinyl)sulfonyl]aniline
PubChem CID11014674
Molecular FormulaC11H8Br2N2O2S
Molecular Weight392.07 g/mol
Exact Mass389.87
IUPAC Name4-[(2,6-dibromo-4-pyridinyl)sulfonyl]aniline
SMILESNc1ccc(S(=O)(=O)c2cc(Br)nc(Br)c2)cc1
InChIInChI=1S/C11H8Br2N2O2S/c12-10-5-9(6-11(13)15-10)18(16,17)8-3-1-7(14)2-4-8/h1-6H,14H2
InChIKeyVVFLAMYJXXXEAN-UHFFFAOYSA-N
XLogP3.02
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.07
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dibromo-4-pyridinyl)sulfonyl]aniline?
The IUPAC name of 4-[(2,6-dibromo-4-pyridinyl)sulfonyl]aniline (CID 11014674) is 4-[(2,6-dibromo-4-pyridinyl)sulfonyl]aniline.
What is the SMILES notation for 4-[(2,6-dibromo-4-pyridinyl)sulfonyl]aniline?
The canonical SMILES for 4-[(2,6-dibromo-4-pyridinyl)sulfonyl]aniline is Nc1ccc(S(=O)(=O)c2cc(Br)nc(Br)c2)cc1.
What is the InChIKey of 4-[(2,6-dibromo-4-pyridinyl)sulfonyl]aniline?
The InChIKey is VVFLAMYJXXXEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2N2O2S/c12-10-5-9(6-11(13)15-10)18(16,17)8-3-1-7(14)2-4-8/h1-6H,14H2.
What are the key properties of 4-[(2,6-dibromo-4-pyridinyl)sulfonyl]aniline?
4-[(2,6-dibromo-4-pyridinyl)sulfonyl]aniline has a molecular weight of 392.07 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dibromo-4-pyridinyl)sulfonyl]aniline is sourced from PubChem (CID 11014674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).