5-bromo-2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide

C15H24BrN3O3S — CID 8824149

IUPAC5-bromo-2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NCCCN1CCN(C)CC1
InChIInChI=1S/C15H24BrN3O3S/c1-18-8-10-19(11-9-18)7-3-6-17-23(20,21)15-12-13(16)4-5-14(15)22-2/h4-5,12,17H,3,6-11H2,1-2H3
InChIKeyZGFASACBAUWOMF-UHFFFAOYSA-N
MW406.35 g/mol
LogP1.37
Rot. Bonds7

About 5-bromo-2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide

5-bromo-2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide (PubChem CID 8824149) has the molecular formula C15H24BrN3O3S and a molecular weight of 406.35 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
PubChem CID8824149
Molecular FormulaC15H24BrN3O3S
Molecular Weight406.35 g/mol
Exact Mass405.07
IUPAC Name5-bromo-2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NCCCN1CCN(C)CC1
InChIInChI=1S/C15H24BrN3O3S/c1-18-8-10-19(11-9-18)7-3-6-17-23(20,21)15-12-13(16)4-5-14(15)22-2/h4-5,12,17H,3,6-11H2,1-2H3
InChIKeyZGFASACBAUWOMF-UHFFFAOYSA-N
XLogP1.37
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-bromo-2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]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-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 8843266
5-bromo-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 2059491
2-methoxy-5-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 8824169
5-bromo-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-methoxybenzenesulfonamide
CID 21092199
2,4-dibromo-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 55871540
5-bromo-N-(3-cyclopropylpropyl)-2-methoxybenzenesulfonamide
CID 115638749
5-bromo-2-methoxy-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63960993
5-bromo-2-methoxy-N-[4-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzenesulfonamide
CID 21092197
4-methoxy-2,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 51121163
5-bromo-2-methoxy-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 113237489
2-methoxy-N-methyl-5-[3-(4-methylpiperazin-1-yl)propylsulfamoyl]benzamide
CID 99971694
5-bromo-2-fluoro-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 60609677

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide?
The IUPAC name of 5-bromo-2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide (CID 8824149) is 5-bromo-2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)NCCCN1CCN(C)CC1.
What is the InChIKey of 5-bromo-2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide?
The InChIKey is ZGFASACBAUWOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O3S/c1-18-8-10-19(11-9-18)7-3-6-17-23(20,21)15-12-13(16)4-5-14(15)22-2/h4-5,12,17H,3,6-11H2,1-2H3.
What are the key properties of 5-bromo-2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide?
5-bromo-2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide has a molecular weight of 406.35 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 8824149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).