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

C16H27N3O3S — CID 8824169

IUPAC2-methoxy-5-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCCCN1CCN(C)CC1
InChIInChI=1S/C16H27N3O3S/c1-14-5-6-15(22-3)16(13-14)23(20,21)17-7-4-8-19-11-9-18(2)10-12-19/h5-6,13,17H,4,7-12H2,1-3H3
InChIKeyUTLTURFXNRWWGA-UHFFFAOYSA-N
MW341.48 g/mol
LogP0.92
Rot. Bonds7

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

2-methoxy-5-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide (PubChem CID 8824169) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
PubChem CID8824169
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC Name2-methoxy-5-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCCCN1CCN(C)CC1
InChIInChI=1S/C16H27N3O3S/c1-14-5-6-15(22-3)16(13-14)23(20,21)17-7-4-8-19-11-9-18(2)10-12-19/h5-6,13,17H,4,7-12H2,1-3H3
InChIKeyUTLTURFXNRWWGA-UHFFFAOYSA-N
XLogP0.92
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 8824149
4-methoxy-2,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 51121163
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 42267714
5-bromo-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 8843266
2-methoxy-5-methyl-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 90500432
4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 8824091
5-bromo-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 2059491
2-methoxy-N-methyl-5-[3-(4-methylpiperazin-1-yl)propylsulfamoyl]benzamide
CID 99971694
4-methoxy-2,3-dimethyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 100546802
N-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]butyl]acetamide
CID 110358600
2-methoxy-5-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 99843579
N-(3-hydroxybutyl)-2-methoxy-5-methylbenzenesulfonamide
CID 64913326

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide (CID 8824169) is 2-methoxy-5-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)NCCCN1CCN(C)CC1.
What is the InChIKey of 2-methoxy-5-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide?
The InChIKey is UTLTURFXNRWWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-14-5-6-15(22-3)16(13-14)23(20,21)17-7-4-8-19-11-9-18(2)10-12-19/h5-6,13,17H,4,7-12H2,1-3H3.
What are the key properties of 2-methoxy-5-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide?
2-methoxy-5-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide has a molecular weight of 341.48 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 8824169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).