2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide

C11H16Br2N2O2S — CID 82950147

IUPAC2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide
SMILESCC(CN(C)C)NS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C11H16Br2N2O2S/c1-8(7-15(2)3)14-18(16,17)11-6-9(12)4-5-10(11)13/h4-6,8,14H,7H2,1-3H3
InChIKeyVFJMUKPEAWFPOW-UHFFFAOYSA-N
MW400.14 g/mol
LogP2.44
Rot. Bonds5

About 2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide

2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide (PubChem CID 82950147) has the molecular formula C11H16Br2N2O2S and a molecular weight of 400.14 g/mol. Its IUPAC name is 2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide
PubChem CID82950147
Molecular FormulaC11H16Br2N2O2S
Molecular Weight400.14 g/mol
Exact Mass397.93
IUPAC Name2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide
SMILESCC(CN(C)C)NS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C11H16Br2N2O2S/c1-8(7-15(2)3)14-18(16,17)11-6-9(12)4-5-10(11)13/h4-6,8,14H,7H2,1-3H3
InChIKeyVFJMUKPEAWFPOW-UHFFFAOYSA-N
XLogP2.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.14
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2-bromo-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzenesulfonamide
CID 82945297
5-amino-4-bromo-N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide
CID 114626035
(2R)-2-[(2,5-dibromophenyl)sulfonylamino]propanoic acid
CID 54991538
2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
CID 103190536
2,5-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824924
2,5-dibromo-N-(2-methylpropoxy)benzenesulfonamide
CID 82715356
2-bromo-5-(dimethylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 97331120
2,5-dibromo-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
CID 61246459
2,5-dibromo-N-[4-(furan-2-yl)butan-2-yl]benzenesulfonamide
CID 60652421
N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide
CID 82949892
2,5-dibromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide
CID 63420635
2,5-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824923

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide (CID 82950147) is 2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide is CC(CN(C)C)NS(=O)(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide?
The InChIKey is VFJMUKPEAWFPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Br2N2O2S/c1-8(7-15(2)3)14-18(16,17)11-6-9(12)4-5-10(11)13/h4-6,8,14H,7H2,1-3H3.
What are the key properties of 2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide?
2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide has a molecular weight of 400.14 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 82950147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).