2,5-dibromo-N-ethoxybenzenesulfonamide

C8H9Br2NO3S — CID 60700593

IUPAC2,5-dibromo-N-ethoxybenzenesulfonamide
SMILESCCONS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C8H9Br2NO3S/c1-2-14-11-15(12,13)8-5-6(9)3-4-7(8)10/h3-5,11H,2H2,1H3
InChIKeyCBLUPSFSCUZCPP-UHFFFAOYSA-N
MW359.04 g/mol
LogP2.44
Rot. Bonds4

About 2,5-dibromo-N-ethoxybenzenesulfonamide

2,5-dibromo-N-ethoxybenzenesulfonamide (PubChem CID 60700593) has the molecular formula C8H9Br2NO3S and a molecular weight of 359.04 g/mol. Its IUPAC name is 2,5-dibromo-N-ethoxybenzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-ethoxybenzenesulfonamide
PubChem CID60700593
Molecular FormulaC8H9Br2NO3S
Molecular Weight359.04 g/mol
Exact Mass356.87
IUPAC Name2,5-dibromo-N-ethoxybenzenesulfonamide
SMILESCCONS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C8H9Br2NO3S/c1-2-14-11-15(12,13)8-5-6(9)3-4-7(8)10/h3-5,11H,2H2,1H3
InChIKeyCBLUPSFSCUZCPP-UHFFFAOYSA-N
XLogP2.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.04
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,5-dibromo-N-(2-methylpropoxy)benzenesulfonamide
CID 82715356
2,5-dibromo-N-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 100820102
ethyl 3-[(2,5-dibromophenyl)sulfonylamino]propanoate
CID 60643187
2,5-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824924
methyl 2-[(2,5-dibromophenyl)sulfonylamino]acetate
CID 43404988
2,5-dibromo-N-(4-propylcyclohexyl)benzenesulfonamide
CID 63420566
3-bromo-4-chloro-N-ethoxybenzenesulfonamide
CID 106605703
2,5-dibromo-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 51697632
N-(3-aminobutyl)-2,5-dibromobenzenesulfonamide
CID 55169700
2,5-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824923
2,5-dibromo-N-[3-(ethylamino)propyl]benzenesulfonamide
CID 43606581
2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide
CID 82950147

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-ethoxybenzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-ethoxybenzenesulfonamide (CID 60700593) is 2,5-dibromo-N-ethoxybenzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-ethoxybenzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-ethoxybenzenesulfonamide is CCONS(=O)(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-ethoxybenzenesulfonamide?
The InChIKey is CBLUPSFSCUZCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Br2NO3S/c1-2-14-11-15(12,13)8-5-6(9)3-4-7(8)10/h3-5,11H,2H2,1H3.
What are the key properties of 2,5-dibromo-N-ethoxybenzenesulfonamide?
2,5-dibromo-N-ethoxybenzenesulfonamide has a molecular weight of 359.04 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-ethoxybenzenesulfonamide is sourced from PubChem (CID 60700593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).