2,4-dibromo-N-pyridin-4-ylbenzenesulfonamide

C11H8Br2N2O2S — CID 60823437

IUPAC2,4-dibromo-N-pyridin-4-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccncc1)c1ccc(Br)cc1Br
InChIInChI=1S/C11H8Br2N2O2S/c12-8-1-2-11(10(13)7-8)18(16,17)15-9-3-5-14-6-4-9/h1-7H,(H,14,15)
InChIKeyWGNPPGZTRZQJSE-UHFFFAOYSA-N
MW392.07 g/mol
LogP3.41
Rot. Bonds3

About 2,4-dibromo-N-pyridin-4-ylbenzenesulfonamide

2,4-dibromo-N-pyridin-4-ylbenzenesulfonamide (PubChem CID 60823437) has the molecular formula C11H8Br2N2O2S and a molecular weight of 392.07 g/mol. Its IUPAC name is 2,4-dibromo-N-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-pyridin-4-ylbenzenesulfonamide
PubChem CID60823437
Molecular FormulaC11H8Br2N2O2S
Molecular Weight392.07 g/mol
Exact Mass389.87
IUPAC Name2,4-dibromo-N-pyridin-4-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccncc1)c1ccc(Br)cc1Br
InChIInChI=1S/C11H8Br2N2O2S/c12-8-1-2-11(10(13)7-8)18(16,17)15-9-3-5-14-6-4-9/h1-7H,(H,14,15)
InChIKeyWGNPPGZTRZQJSE-UHFFFAOYSA-N
XLogP3.41
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.07
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-fluoro-N-pyridin-4-ylbenzenesulfonamide
CID 60823438
2,4-dibromo-N-(3-iodophenyl)benzenesulfonamide
CID 60823302
2,4-dibromo-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 55125549
2,4-dibromo-N-(4-cyanophenyl)benzenesulfonamide
CID 47257475
2,4-dibromo-N-(3-methylphenyl)benzenesulfonamide
CID 47257416
2,4-dibromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide
CID 63421623
N-(6-amino-3-pyridinyl)-2,4-dibromobenzenesulfonamide
CID 60824053
2,4-dibromo-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 81495216
2,4-dibromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide
CID 107681665
2,4-dibromo-N-(2,6-dichlorophenyl)benzenesulfonamide
CID 61216757
2,4-dibromo-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114389146
2,4-dibromo-N-(4-bromo-3-methoxyphenyl)benzenesulfonamide
CID 82861269

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-pyridin-4-ylbenzenesulfonamide (CID 60823437) is 2,4-dibromo-N-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-pyridin-4-ylbenzenesulfonamide is O=S(=O)(Nc1ccncc1)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-pyridin-4-ylbenzenesulfonamide?
The InChIKey is WGNPPGZTRZQJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2N2O2S/c12-8-1-2-11(10(13)7-8)18(16,17)15-9-3-5-14-6-4-9/h1-7H,(H,14,15).
What are the key properties of 2,4-dibromo-N-pyridin-4-ylbenzenesulfonamide?
2,4-dibromo-N-pyridin-4-ylbenzenesulfonamide has a molecular weight of 392.07 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 60823437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).