4-amino-N-(3,5-dibromo-2-pyridinyl)benzenesulfonamide

C11H9Br2N3O2S — CID 23275325

IUPAC4-amino-N-(3,5-dibromo-2-pyridinyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ncc(Br)cc2Br)cc1
InChIInChI=1S/C11H9Br2N3O2S/c12-7-5-10(13)11(15-6-7)16-19(17,18)9-3-1-8(14)2-4-9/h1-6H,14H2,(H,15,16)
InChIKeyUXBMZUKVRBRQPV-UHFFFAOYSA-N
MW407.09 g/mol
LogP2.99
Rot. Bonds3

About 4-amino-N-(3,5-dibromo-2-pyridinyl)benzenesulfonamide

4-amino-N-(3,5-dibromo-2-pyridinyl)benzenesulfonamide (PubChem CID 23275325) has the molecular formula C11H9Br2N3O2S and a molecular weight of 407.09 g/mol. Its IUPAC name is 4-amino-N-(3,5-dibromo-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(3,5-dibromo-2-pyridinyl)benzenesulfonamide
PubChem CID23275325
Molecular FormulaC11H9Br2N3O2S
Molecular Weight407.09 g/mol
Exact Mass404.88
IUPAC Name4-amino-N-(3,5-dibromo-2-pyridinyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ncc(Br)cc2Br)cc1
InChIInChI=1S/C11H9Br2N3O2S/c12-7-5-10(13)11(15-6-7)16-19(17,18)9-3-1-8(14)2-4-9/h1-6H,14H2,(H,15,16)
InChIKeyUXBMZUKVRBRQPV-UHFFFAOYSA-N
XLogP2.99
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.09
LogP ≤ 52.99
H-Bond Donors ≤ 52
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 4-amino-N-(3,5-dibromo-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(3,5-dibromo-2-pyridinyl)benzenesulfonamide (CID 23275325) is 4-amino-N-(3,5-dibromo-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(3,5-dibromo-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(3,5-dibromo-2-pyridinyl)benzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2ncc(Br)cc2Br)cc1.
What is the InChIKey of 4-amino-N-(3,5-dibromo-2-pyridinyl)benzenesulfonamide?
The InChIKey is UXBMZUKVRBRQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2N3O2S/c12-7-5-10(13)11(15-6-7)16-19(17,18)9-3-1-8(14)2-4-9/h1-6H,14H2,(H,15,16).
What are the key properties of 4-amino-N-(3,5-dibromo-2-pyridinyl)benzenesulfonamide?
4-amino-N-(3,5-dibromo-2-pyridinyl)benzenesulfonamide has a molecular weight of 407.09 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,5-dibromo-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 23275325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).