2,5-dibromo-N,N-bis(prop-2-enyl)benzenesulfonamide

C12H13Br2NO2S — CID 51888305

IUPAC2,5-dibromo-N,N-bis(prop-2-enyl)benzenesulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C12H13Br2NO2S/c1-3-7-15(8-4-2)18(16,17)12-9-10(13)5-6-11(12)14/h3-6,9H,1-2,7-8H2
InChIKeyXYCUVFSYBZOXIG-UHFFFAOYSA-N
MW395.12 g/mol
LogP3.57
Rot. Bonds6

About 2,5-dibromo-N,N-bis(prop-2-enyl)benzenesulfonamide

2,5-dibromo-N,N-bis(prop-2-enyl)benzenesulfonamide (PubChem CID 51888305) has the molecular formula C12H13Br2NO2S and a molecular weight of 395.12 g/mol. Its IUPAC name is 2,5-dibromo-N,N-bis(prop-2-enyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N,N-bis(prop-2-enyl)benzenesulfonamide
PubChem CID51888305
Molecular FormulaC12H13Br2NO2S
Molecular Weight395.12 g/mol
Exact Mass392.90
IUPAC Name2,5-dibromo-N,N-bis(prop-2-enyl)benzenesulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C12H13Br2NO2S/c1-3-7-15(8-4-2)18(16,17)12-9-10(13)5-6-11(12)14/h3-6,9H,1-2,7-8H2
InChIKeyXYCUVFSYBZOXIG-UHFFFAOYSA-N
XLogP3.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.12
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N,N-bis(prop-2-enyl)benzenesulfonamide?
The IUPAC name of 2,5-dibromo-N,N-bis(prop-2-enyl)benzenesulfonamide (CID 51888305) is 2,5-dibromo-N,N-bis(prop-2-enyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N,N-bis(prop-2-enyl)benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N,N-bis(prop-2-enyl)benzenesulfonamide is C=CCN(CC=C)S(=O)(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N,N-bis(prop-2-enyl)benzenesulfonamide?
The InChIKey is XYCUVFSYBZOXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2NO2S/c1-3-7-15(8-4-2)18(16,17)12-9-10(13)5-6-11(12)14/h3-6,9H,1-2,7-8H2.
What are the key properties of 2,5-dibromo-N,N-bis(prop-2-enyl)benzenesulfonamide?
2,5-dibromo-N,N-bis(prop-2-enyl)benzenesulfonamide has a molecular weight of 395.12 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N,N-bis(prop-2-enyl)benzenesulfonamide is sourced from PubChem (CID 51888305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).