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

C15H25N3O2S — CID 8824091

IUPAC4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCN2CCN(C)CC2)cc1
InChIInChI=1S/C15H25N3O2S/c1-14-4-6-15(7-5-14)21(19,20)16-8-3-9-18-12-10-17(2)11-13-18/h4-7,16H,3,8-13H2,1-2H3
InChIKeyYALFMJUAXCONKR-UHFFFAOYSA-N
MW311.45 g/mol
LogP0.91
Rot. Bonds6

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

4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide (PubChem CID 8824091) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
PubChem CID8824091
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCN2CCN(C)CC2)cc1
InChIInChI=1S/C15H25N3O2S/c1-14-4-6-15(7-5-14)21(19,20)16-8-3-9-18-12-10-17(2)11-13-18/h4-7,16H,3,8-13H2,1-2H3
InChIKeyYALFMJUAXCONKR-UHFFFAOYSA-N
XLogP0.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 60924583
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
3-[(4-methylphenyl)sulfonylamino]-N-(4-methylpiperazin-1-yl)propanamide
CID 9205175
4-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 94061336
4-(4-methylphenyl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzenesulfonamide
CID 118462234
4-(bromomethyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 65481400
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 59135295
2-methoxy-5-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 8824169
4-(4-methylphenyl)-N-[4-(4-piperidin-1-ylpiperidin-1-yl)butyl]benzenesulfonamide
CID 123454556
4-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 71053685
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzenesulfonamide
CID 110445870
4-iodo-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 4988896

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide (CID 8824091) is 4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCCN2CCN(C)CC2)cc1.
What is the InChIKey of 4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide?
The InChIKey is YALFMJUAXCONKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-14-4-6-15(7-5-14)21(19,20)16-8-3-9-18-12-10-17(2)11-13-18/h4-7,16H,3,8-13H2,1-2H3.
What are the key properties of 4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide?
4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 8824091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).