2,5-dibromo-N-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]benzenesulfonamide

C14H12Br4N2O4S2 — CID 100820102

IUPAC2,5-dibromo-N-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCNS(=O)(=O)c1cc(Br)ccc1Br)c1cc(Br)ccc1Br
InChIInChI=1S/C14H12Br4N2O4S2/c15-9-1-3-11(17)13(7-9)25(21,22)19-5-6-20-26(23,24)14-8-10(16)2-4-12(14)18/h1-4,7-8,19-20H,5-6H2
InChIKeyKGYJGXPCGKUIQF-UHFFFAOYSA-N
MW656.01 g/mol
LogP3.99
Rot. Bonds7

About 2,5-dibromo-N-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]benzenesulfonamide

2,5-dibromo-N-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]benzenesulfonamide (PubChem CID 100820102) has the molecular formula C14H12Br4N2O4S2 and a molecular weight of 656.01 g/mol. Its IUPAC name is 2,5-dibromo-N-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]benzenesulfonamide
PubChem CID100820102
Molecular FormulaC14H12Br4N2O4S2
Molecular Weight656.01 g/mol
Exact Mass651.70
IUPAC Name2,5-dibromo-N-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCNS(=O)(=O)c1cc(Br)ccc1Br)c1cc(Br)ccc1Br
InChIInChI=1S/C14H12Br4N2O4S2/c15-9-1-3-11(17)13(7-9)25(21,22)19-5-6-20-26(23,24)14-8-10(16)2-4-12(14)18/h1-4,7-8,19-20H,5-6H2
InChIKeyKGYJGXPCGKUIQF-UHFFFAOYSA-N
XLogP3.99
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500656.01
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-dibromo-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 47350573
2,5-dibromo-N-(3-bromobutyl)benzenesulfonamide
CID 114297785
N-(3-aminobutyl)-2,5-dibromobenzenesulfonamide
CID 55169700
2,5-dibromo-N-[3-(ethylamino)propyl]benzenesulfonamide
CID 43606581
3-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 78953522
2,5-dibromo-N-(3-chloropentyl)benzenesulfonamide
CID 113498030
2,5-dibromo-N-(3-cyclopropylpropyl)benzenesulfonamide
CID 113239002
2,5-dibromo-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 35523293
2,5-dibromo-N-(2-prop-2-ynylsulfanylethyl)benzenesulfonamide
CID 113240049
2,5-dibromo-N-(5-hydroxy-4-methylpentyl)benzenesulfonamide
CID 103858962
ethyl 3-[(2,5-dibromophenyl)sulfonylamino]propanoate
CID 60643187
2,5-dibromo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 60629358

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]benzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]benzenesulfonamide (CID 100820102) is 2,5-dibromo-N-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]benzenesulfonamide is O=S(=O)(NCCNS(=O)(=O)c1cc(Br)ccc1Br)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]benzenesulfonamide?
The InChIKey is KGYJGXPCGKUIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br4N2O4S2/c15-9-1-3-11(17)13(7-9)25(21,22)19-5-6-20-26(23,24)14-8-10(16)2-4-12(14)18/h1-4,7-8,19-20H,5-6H2.
What are the key properties of 2,5-dibromo-N-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]benzenesulfonamide?
2,5-dibromo-N-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]benzenesulfonamide has a molecular weight of 656.01 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 100820102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).