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

C13H12Br2N2O2S — CID 103744756

IUPAC2,5-dibromo-N-ethyl-N-pyridin-4-ylbenzenesulfonamide
SMILESCCN(c1ccncc1)S(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C13H12Br2N2O2S/c1-2-17(11-5-7-16-8-6-11)20(18,19)13-9-10(14)3-4-12(13)15/h3-9H,2H2,1H3
InChIKeyIYMKOVKQKQTTJZ-UHFFFAOYSA-N
MW420.13 g/mol
LogP3.82
Rot. Bonds4

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

2,5-dibromo-N-ethyl-N-pyridin-4-ylbenzenesulfonamide (PubChem CID 103744756) has the molecular formula C13H12Br2N2O2S and a molecular weight of 420.13 g/mol. Its IUPAC name is 2,5-dibromo-N-ethyl-N-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-ethyl-N-pyridin-4-ylbenzenesulfonamide
PubChem CID103744756
Molecular FormulaC13H12Br2N2O2S
Molecular Weight420.13 g/mol
Exact Mass417.90
IUPAC Name2,5-dibromo-N-ethyl-N-pyridin-4-ylbenzenesulfonamide
SMILESCCN(c1ccncc1)S(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C13H12Br2N2O2S/c1-2-17(11-5-7-16-8-6-11)20(18,19)13-9-10(14)3-4-12(13)15/h3-9H,2H2,1H3
InChIKeyIYMKOVKQKQTTJZ-UHFFFAOYSA-N
XLogP3.82
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.13
LogP ≤ 53.82
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
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-amino-N-ethyl-2,6-difluoro-N-pyridin-4-ylbenzenesulfonamide
CID 106934579
2,5-dibromo-N,N-di(propan-2-yl)benzenesulfonamide
CID 66619434
2,5-dibromo-N-butyl-N-methylbenzenesulfonamide
CID 43845506
N-ethyl-4-(methylamino)-N-pyridin-4-ylbenzenesulfonamide
CID 106936356
N-(4-bromophenyl)-2,5-dichloro-N-ethylbenzenesulfonamide
CID 100506692
2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
CID 103190536
N-ethyl-5-fluoro-2-(methoxymethoxy)-N-pyridin-4-ylbenzenesulfonamide
CID 136561863
2-amino-5-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 61139950
2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide
CID 63700203

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-ethyl-N-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-ethyl-N-pyridin-4-ylbenzenesulfonamide (CID 103744756) is 2,5-dibromo-N-ethyl-N-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-ethyl-N-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-ethyl-N-pyridin-4-ylbenzenesulfonamide is CCN(c1ccncc1)S(=O)(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-ethyl-N-pyridin-4-ylbenzenesulfonamide?
The InChIKey is IYMKOVKQKQTTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2O2S/c1-2-17(11-5-7-16-8-6-11)20(18,19)13-9-10(14)3-4-12(13)15/h3-9H,2H2,1H3.
What are the key properties of 2,5-dibromo-N-ethyl-N-pyridin-4-ylbenzenesulfonamide?
2,5-dibromo-N-ethyl-N-pyridin-4-ylbenzenesulfonamide has a molecular weight of 420.13 g/mol, XLogP of 3.82, 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-N-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 103744756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).