2,5-dibromo-N-[3-(ethylamino)propyl]benzenesulfonamide

C11H16Br2N2O2S — CID 43606581

IUPAC2,5-dibromo-N-[3-(ethylamino)propyl]benzenesulfonamide
SMILESCCNCCCNS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C11H16Br2N2O2S/c1-2-14-6-3-7-15-18(16,17)11-8-9(12)4-5-10(11)13/h4-5,8,14-15H,2-3,6-7H2,1H3
InChIKeyYBCANOOINOJUER-UHFFFAOYSA-N
MW400.14 g/mol
LogP2.49
Rot. Bonds7

About 2,5-dibromo-N-[3-(ethylamino)propyl]benzenesulfonamide

2,5-dibromo-N-[3-(ethylamino)propyl]benzenesulfonamide (PubChem CID 43606581) has the molecular formula C11H16Br2N2O2S and a molecular weight of 400.14 g/mol. Its IUPAC name is 2,5-dibromo-N-[3-(ethylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-[3-(ethylamino)propyl]benzenesulfonamide
PubChem CID43606581
Molecular FormulaC11H16Br2N2O2S
Molecular Weight400.14 g/mol
Exact Mass397.93
IUPAC Name2,5-dibromo-N-[3-(ethylamino)propyl]benzenesulfonamide
SMILESCCNCCCNS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C11H16Br2N2O2S/c1-2-14-6-3-7-15-18(16,17)11-8-9(12)4-5-10(11)13/h4-5,8,14-15H,2-3,6-7H2,1H3
InChIKeyYBCANOOINOJUER-UHFFFAOYSA-N
XLogP2.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.14
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,5-dibromo-N-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 100820102
2,5-dibromo-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 47350573
5-bromo-2-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide
CID 119973900
2-bromo-N-[2-(ethylamino)ethyl]-5-fluorobenzenesulfonamide
CID 119973707
2,5-dibromo-N-(3-chloropentyl)benzenesulfonamide
CID 113498030
2,5-dibromo-N-(3-cyclopropylpropyl)benzenesulfonamide
CID 113239002
2,5-dibromo-N-(5-hydroxy-4-methylpentyl)benzenesulfonamide
CID 103858962
2-bromo-5-(ethylaminomethyl)-N-pentylbenzenesulfonamide
CID 106058095
2,5-dibromo-N-(3-bromobutyl)benzenesulfonamide
CID 114297785
N-(3-aminobutyl)-2,5-dibromobenzenesulfonamide
CID 55169700
N-[3-(ethylamino)propyl]-2,5-dimethylbenzenesulfonamide
CID 43606579
5-bromo-N-[3-(ethylsulfonylamino)propyl]-2-fluorobenzenesulfonamide
CID 60609518

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[3-(ethylamino)propyl]benzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-[3-(ethylamino)propyl]benzenesulfonamide (CID 43606581) is 2,5-dibromo-N-[3-(ethylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-[3-(ethylamino)propyl]benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-[3-(ethylamino)propyl]benzenesulfonamide is CCNCCCNS(=O)(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-[3-(ethylamino)propyl]benzenesulfonamide?
The InChIKey is YBCANOOINOJUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Br2N2O2S/c1-2-14-6-3-7-15-18(16,17)11-8-9(12)4-5-10(11)13/h4-5,8,14-15H,2-3,6-7H2,1H3.
What are the key properties of 2,5-dibromo-N-[3-(ethylamino)propyl]benzenesulfonamide?
2,5-dibromo-N-[3-(ethylamino)propyl]benzenesulfonamide has a molecular weight of 400.14 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[3-(ethylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 43606581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).