2,4-dibromo-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide

C15H23Br2N3O2S — CID 55871540

IUPAC2,4-dibromo-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
SMILESCN1CCN(CCCCNS(=O)(=O)c2ccc(Br)cc2Br)CC1
InChIInChI=1S/C15H23Br2N3O2S/c1-19-8-10-20(11-9-19)7-3-2-6-18-23(21,22)15-5-4-13(16)12-14(15)17/h4-5,12,18H,2-3,6-11H2,1H3
InChIKeyCNMKBVDELZPTNQ-UHFFFAOYSA-N
MW469.24 g/mol
LogP2.52
Rot. Bonds7

About 2,4-dibromo-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide

2,4-dibromo-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide (PubChem CID 55871540) has the molecular formula C15H23Br2N3O2S and a molecular weight of 469.24 g/mol. Its IUPAC name is 2,4-dibromo-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
PubChem CID55871540
Molecular FormulaC15H23Br2N3O2S
Molecular Weight469.24 g/mol
Exact Mass466.99
IUPAC Name2,4-dibromo-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
SMILESCN1CCN(CCCCNS(=O)(=O)c2ccc(Br)cc2Br)CC1
InChIInChI=1S/C15H23Br2N3O2S/c1-19-8-10-20(11-9-19)7-3-2-6-18-23(21,22)15-5-4-13(16)12-14(15)17/h4-5,12,18H,2-3,6-11H2,1H3
InChIKeyCNMKBVDELZPTNQ-UHFFFAOYSA-N
XLogP2.52
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.24
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,4-dibromo-N-[4-(4-methylpiperazin-1-yl)butyl]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-bromo-2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 8824149
2,4-dibromo-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 61059343
2-bromo-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 60731580
2-bromo-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 60703082
2,4-dibromo-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 83023744
4-bromo-2-methyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride
CID 120706365
5-bromo-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 8843266
4-amino-2-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43256797
2-bromo-4-fluoro-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 60824052
4-bromo-2-fluoro-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 116527840
5-bromo-2-fluoro-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 60609677
4-methoxy-2,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 51121163

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide (CID 55871540) is 2,4-dibromo-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide is CN1CCN(CCCCNS(=O)(=O)c2ccc(Br)cc2Br)CC1.
What is the InChIKey of 2,4-dibromo-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide?
The InChIKey is CNMKBVDELZPTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Br2N3O2S/c1-19-8-10-20(11-9-19)7-3-2-6-18-23(21,22)15-5-4-13(16)12-14(15)17/h4-5,12,18H,2-3,6-11H2,1H3.
What are the key properties of 2,4-dibromo-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide?
2,4-dibromo-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide has a molecular weight of 469.24 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide is sourced from PubChem (CID 55871540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).