N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzenesulfonamide

C16H27N3O3S — CID 110445870

IUPACN-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzenesulfonamide
SMILESCCN1CCN(CCCNS(=O)(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C16H27N3O3S/c1-3-18-11-13-19(14-12-18)10-4-9-17-23(20,21)16-7-5-15(22-2)6-8-16/h5-8,17H,3-4,9-14H2,1-2H3
InChIKeyNSFCADCYIFPNSX-UHFFFAOYSA-N
MW341.48 g/mol
LogP1.00
Rot. Bonds8

About N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzenesulfonamide

N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzenesulfonamide (PubChem CID 110445870) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzenesulfonamide
PubChem CID110445870
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzenesulfonamide
SMILESCCN1CCN(CCCNS(=O)(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C16H27N3O3S/c1-3-18-11-13-19(14-12-18)10-4-9-17-23(20,21)16-7-5-15(22-2)6-8-16/h5-8,17H,3-4,9-14H2,1-2H3
InChIKeyNSFCADCYIFPNSX-UHFFFAOYSA-N
XLogP1.00
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 51.00
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

4-tert-butyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 42389259
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
4-methoxy-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 34266899
N-[4-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propylsulfamoyl]phenyl]propanamide
CID 42389365
4-methoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721099
4-methoxy-N-(3-sulfanylpropyl)benzenesulfonamide
CID 15895607
4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 8824091
4-(2-methoxyethoxy)-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 134007687
1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 42389281
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-4-propan-2-ylbenzenesulfonamide
CID 42267599
4-(4-methoxyphenoxy)-N-[3-(methylamino)propyl]benzenesulfonamide
CID 119964872

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzenesulfonamide (CID 110445870) is N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzenesulfonamide is CCN1CCN(CCCNS(=O)(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzenesulfonamide?
The InChIKey is NSFCADCYIFPNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-3-18-11-13-19(14-12-18)10-4-9-17-23(20,21)16-7-5-15(22-2)6-8-16/h5-8,17H,3-4,9-14H2,1-2H3.
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzenesulfonamide?
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzenesulfonamide has a molecular weight of 341.48 g/mol, XLogP of 1.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 110445870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).