2,4-dibromo-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide

C13H18Br2N2O3S — CID 61060886

IUPAC2,4-dibromo-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide
SMILESCC(CN1CCOCC1)NS(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C13H18Br2N2O3S/c1-10(9-17-4-6-20-7-5-17)16-21(18,19)13-3-2-11(14)8-12(13)15/h2-3,8,10,16H,4-7,9H2,1H3
InChIKeySONPRKCPALNAHU-UHFFFAOYSA-N
MW442.17 g/mol
LogP2.21
Rot. Bonds5

About 2,4-dibromo-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide

2,4-dibromo-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide (PubChem CID 61060886) has the molecular formula C13H18Br2N2O3S and a molecular weight of 442.17 g/mol. Its IUPAC name is 2,4-dibromo-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide
PubChem CID61060886
Molecular FormulaC13H18Br2N2O3S
Molecular Weight442.17 g/mol
Exact Mass439.94
IUPAC Name2,4-dibromo-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide
SMILESCC(CN1CCOCC1)NS(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C13H18Br2N2O3S/c1-10(9-17-4-6-20-7-5-17)16-21(18,19)13-3-2-11(14)8-12(13)15/h2-3,8,10,16H,4-7,9H2,1H3
InChIKeySONPRKCPALNAHU-UHFFFAOYSA-N
XLogP2.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.17
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,4-dibromo-N-(1-morpholin-4-ylpropan-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

4-bromo-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide
CID 47206424
2-methylsulfonyl-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide
CID 55896392
2-bromo-4-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61060737
4-(bromomethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide
CID 65479823
5-bromo-N-(1-morpholin-4-ylpropan-2-yl)thiophene-2-sulfonamide
CID 54938192
N-[(2R)-1-morpholin-4-ylpropan-2-yl]naphthalene-1-sulfonamide
CID 97000893
5-bromo-2-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61228326
2-amino-N-(1-morpholin-4-ylpropan-2-yl)pyridine-3-sulfonamide
CID 62151539
2-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)pyridine-3-sulfonamide
CID 62151364
5-chloro-2-methyl-3-(1-morpholin-4-ylpropan-2-ylsulfamoyl)benzoic acid
CID 136531093
4-[2-(3-bromophenyl)propyl]morpholine
CID 12805117
5-[(2,4-dibromophenyl)sulfonylamino]hexanoic acid
CID 82855023

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide (CID 61060886) is 2,4-dibromo-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide is CC(CN1CCOCC1)NS(=O)(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is SONPRKCPALNAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Br2N2O3S/c1-10(9-17-4-6-20-7-5-17)16-21(18,19)13-3-2-11(14)8-12(13)15/h2-3,8,10,16H,4-7,9H2,1H3.
What are the key properties of 2,4-dibromo-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide?
2,4-dibromo-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide has a molecular weight of 442.17 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 61060886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).