4-(2,5-dimethylpiperazin-1-yl)-N-propylbenzenesulfonamide

C15H25N3O2S — CID 64983752

IUPAC4-(2,5-dimethylpiperazin-1-yl)-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(N2CC(C)NCC2C)cc1
InChIInChI=1S/C15H25N3O2S/c1-4-9-17-21(19,20)15-7-5-14(6-8-15)18-11-12(2)16-10-13(18)3/h5-8,12-13,16-17H,4,9-11H2,1-3H3
InChIKeyXPHJSFZERHVOBX-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.56
Rot. Bonds5

About 4-(2,5-dimethylpiperazin-1-yl)-N-propylbenzenesulfonamide

4-(2,5-dimethylpiperazin-1-yl)-N-propylbenzenesulfonamide (PubChem CID 64983752) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 4-(2,5-dimethylpiperazin-1-yl)-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2,5-dimethylpiperazin-1-yl)-N-propylbenzenesulfonamide
PubChem CID64983752
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name4-(2,5-dimethylpiperazin-1-yl)-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(N2CC(C)NCC2C)cc1
InChIInChI=1S/C15H25N3O2S/c1-4-9-17-21(19,20)15-7-5-14(6-8-15)18-11-12(2)16-10-13(18)3/h5-8,12-13,16-17H,4,9-11H2,1-3H3
InChIKeyXPHJSFZERHVOBX-UHFFFAOYSA-N
XLogP1.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpiperazin-1-yl)-N-propylbenzenesulfonamide?
The IUPAC name of 4-(2,5-dimethylpiperazin-1-yl)-N-propylbenzenesulfonamide (CID 64983752) is 4-(2,5-dimethylpiperazin-1-yl)-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-(2,5-dimethylpiperazin-1-yl)-N-propylbenzenesulfonamide?
The canonical SMILES for 4-(2,5-dimethylpiperazin-1-yl)-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccc(N2CC(C)NCC2C)cc1.
What is the InChIKey of 4-(2,5-dimethylpiperazin-1-yl)-N-propylbenzenesulfonamide?
The InChIKey is XPHJSFZERHVOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-4-9-17-21(19,20)15-7-5-14(6-8-15)18-11-12(2)16-10-13(18)3/h5-8,12-13,16-17H,4,9-11H2,1-3H3.
What are the key properties of 4-(2,5-dimethylpiperazin-1-yl)-N-propylbenzenesulfonamide?
4-(2,5-dimethylpiperazin-1-yl)-N-propylbenzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpiperazin-1-yl)-N-propylbenzenesulfonamide is sourced from PubChem (CID 64983752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).