2,5-dibromo-N-ethyl-4-methyl-N-pyridin-4-ylbenzenesulfonamide

C14H14Br2N2O2S — CID 103768572

IUPAC2,5-dibromo-N-ethyl-4-methyl-N-pyridin-4-ylbenzenesulfonamide
SMILESCCN(c1ccncc1)S(=O)(=O)c1cc(Br)c(C)cc1Br
InChIInChI=1S/C14H14Br2N2O2S/c1-3-18(11-4-6-17-7-5-11)21(19,20)14-9-12(15)10(2)8-13(14)16/h4-9H,3H2,1-2H3
InChIKeyPRFZOMICNYSTOU-UHFFFAOYSA-N
MW434.15 g/mol
LogP4.13
Rot. Bonds4

About 2,5-dibromo-N-ethyl-4-methyl-N-pyridin-4-ylbenzenesulfonamide

2,5-dibromo-N-ethyl-4-methyl-N-pyridin-4-ylbenzenesulfonamide (PubChem CID 103768572) has the molecular formula C14H14Br2N2O2S and a molecular weight of 434.15 g/mol. Its IUPAC name is 2,5-dibromo-N-ethyl-4-methyl-N-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-ethyl-4-methyl-N-pyridin-4-ylbenzenesulfonamide
PubChem CID103768572
Molecular FormulaC14H14Br2N2O2S
Molecular Weight434.15 g/mol
Exact Mass431.91
IUPAC Name2,5-dibromo-N-ethyl-4-methyl-N-pyridin-4-ylbenzenesulfonamide
SMILESCCN(c1ccncc1)S(=O)(=O)c1cc(Br)c(C)cc1Br
InChIInChI=1S/C14H14Br2N2O2S/c1-3-18(11-4-6-17-7-5-11)21(19,20)14-9-12(15)10(2)8-13(14)16/h4-9H,3H2,1-2H3
InChIKeyPRFZOMICNYSTOU-UHFFFAOYSA-N
XLogP4.13
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.15
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dibromo-N-ethyl-N-pyridin-4-ylbenzenesulfonamide
CID 103744756
2,5-dibromo-N,4-dimethyl-N-pyridin-4-ylbenzenesulfonamide
CID 106936845
5-bromo-N-ethyl-4-methyl-N-pyridin-4-ylthiophene-2-sulfonamide
CID 103768575
4-amino-2,6-dibromo-N-ethyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934536
4-bromo-N-ethyl-2,5-dimethyl-N-(3-methylphenyl)benzenesulfonamide
CID 66485793
N-ethyl-4-(methylamino)-N-pyridin-4-ylbenzenesulfonamide
CID 106936356
4-amino-N-ethyl-2,6-difluoro-N-pyridin-4-ylbenzenesulfonamide
CID 106934579
2,4-dibromo-N,N-diethyl-5-methylbenzenesulfonamide
CID 50876814
2-bromo-N-ethyl-4,5-dimethoxy-N-phenylbenzenesulfonamide
CID 9055831
4-bromo-N-ethyl-3-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 63420834
N-ethyl-5-fluoro-2-(methoxymethoxy)-N-pyridin-4-ylbenzenesulfonamide
CID 136561863
2,5-dibromo-N-(2-cyanoethyl)-N-ethyl-4-methylbenzenesulfonamide
CID 80708752

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-ethyl-4-methyl-N-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-ethyl-4-methyl-N-pyridin-4-ylbenzenesulfonamide (CID 103768572) is 2,5-dibromo-N-ethyl-4-methyl-N-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-ethyl-4-methyl-N-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-ethyl-4-methyl-N-pyridin-4-ylbenzenesulfonamide is CCN(c1ccncc1)S(=O)(=O)c1cc(Br)c(C)cc1Br.
What is the InChIKey of 2,5-dibromo-N-ethyl-4-methyl-N-pyridin-4-ylbenzenesulfonamide?
The InChIKey is PRFZOMICNYSTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2O2S/c1-3-18(11-4-6-17-7-5-11)21(19,20)14-9-12(15)10(2)8-13(14)16/h4-9H,3H2,1-2H3.
What are the key properties of 2,5-dibromo-N-ethyl-4-methyl-N-pyridin-4-ylbenzenesulfonamide?
2,5-dibromo-N-ethyl-4-methyl-N-pyridin-4-ylbenzenesulfonamide has a molecular weight of 434.15 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-ethyl-4-methyl-N-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 103768572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).