2,5-dibromo-N,4-dimethyl-N-pyridin-4-ylbenzenesulfonamide

C13H12Br2N2O2S — CID 106936845

IUPAC2,5-dibromo-N,4-dimethyl-N-pyridin-4-ylbenzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)N(C)c2ccncc2)cc1Br
InChIInChI=1S/C13H12Br2N2O2S/c1-9-7-12(15)13(8-11(9)14)20(18,19)17(2)10-3-5-16-6-4-10/h3-8H,1-2H3
InChIKeyZPFVYSLSRUKVBP-UHFFFAOYSA-N
MW420.13 g/mol
LogP3.74
Rot. Bonds3

About 2,5-dibromo-N,4-dimethyl-N-pyridin-4-ylbenzenesulfonamide

2,5-dibromo-N,4-dimethyl-N-pyridin-4-ylbenzenesulfonamide (PubChem CID 106936845) has the molecular formula C13H12Br2N2O2S and a molecular weight of 420.13 g/mol. Its IUPAC name is 2,5-dibromo-N,4-dimethyl-N-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N,4-dimethyl-N-pyridin-4-ylbenzenesulfonamide
PubChem CID106936845
Molecular FormulaC13H12Br2N2O2S
Molecular Weight420.13 g/mol
Exact Mass417.90
IUPAC Name2,5-dibromo-N,4-dimethyl-N-pyridin-4-ylbenzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)N(C)c2ccncc2)cc1Br
InChIInChI=1S/C13H12Br2N2O2S/c1-9-7-12(15)13(8-11(9)14)20(18,19)17(2)10-3-5-16-6-4-10/h3-8H,1-2H3
InChIKeyZPFVYSLSRUKVBP-UHFFFAOYSA-N
XLogP3.74
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.13
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dibromo-N-ethyl-4-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 103768572
4-bromo-3-[methyl(pyridin-4-yl)sulfamoyl]benzoic acid
CID 106934697
N,2-dimethyl-N-pyridin-4-ylbenzenesulfonamide
CID 106937622
3-methyl-4-[methyl(pyridin-4-yl)sulfamoyl]benzenecarbothioamide
CID 106998658
5-cyano-N,2-dimethyl-N-pyridin-4-ylbenzenesulfonamide
CID 106935750
3-amino-2-bromo-5-chloro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934484
5-amino-4-bromo-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 114625565
4-fluoro-2-[methyl(pyridin-4-yl)sulfamoyl]benzoic acid
CID 106934695
3-amino-N,4,5-trimethyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934458
2-fluoro-4,5-dimethoxy-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 167935434
methyl 2-[methyl(pyridin-4-yl)sulfamoyl]benzoate
CID 106934687
2,5-dibromo-4-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 80708249

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N,4-dimethyl-N-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of 2,5-dibromo-N,4-dimethyl-N-pyridin-4-ylbenzenesulfonamide (CID 106936845) is 2,5-dibromo-N,4-dimethyl-N-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N,4-dimethyl-N-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N,4-dimethyl-N-pyridin-4-ylbenzenesulfonamide is Cc1cc(Br)c(S(=O)(=O)N(C)c2ccncc2)cc1Br.
What is the InChIKey of 2,5-dibromo-N,4-dimethyl-N-pyridin-4-ylbenzenesulfonamide?
The InChIKey is ZPFVYSLSRUKVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2O2S/c1-9-7-12(15)13(8-11(9)14)20(18,19)17(2)10-3-5-16-6-4-10/h3-8H,1-2H3.
What are the key properties of 2,5-dibromo-N,4-dimethyl-N-pyridin-4-ylbenzenesulfonamide?
2,5-dibromo-N,4-dimethyl-N-pyridin-4-ylbenzenesulfonamide has a molecular weight of 420.13 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N,4-dimethyl-N-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 106936845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).