3,5-dimethoxy-N-(3-piperazin-1-ylpropyl)benzenesulfonamide

C15H25N3O4S — CID 119994383

IUPAC3,5-dimethoxy-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
SMILESCOc1cc(OC)cc(S(=O)(=O)NCCCN2CCNCC2)c1
InChIInChI=1S/C15H25N3O4S/c1-21-13-10-14(22-2)12-15(11-13)23(19,20)17-4-3-7-18-8-5-16-6-9-18/h10-12,16-17H,3-9H2,1-2H3
InChIKeyBOCCLAKYTSNUCK-UHFFFAOYSA-N
MW343.45 g/mol
LogP0.28
Rot. Bonds8

About 3,5-dimethoxy-N-(3-piperazin-1-ylpropyl)benzenesulfonamide

3,5-dimethoxy-N-(3-piperazin-1-ylpropyl)benzenesulfonamide (PubChem CID 119994383) has the molecular formula C15H25N3O4S and a molecular weight of 343.45 g/mol. Its IUPAC name is 3,5-dimethoxy-N-(3-piperazin-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
PubChem CID119994383
Molecular FormulaC15H25N3O4S
Molecular Weight343.45 g/mol
Exact Mass343.16
IUPAC Name3,5-dimethoxy-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
SMILESCOc1cc(OC)cc(S(=O)(=O)NCCCN2CCNCC2)c1
InChIInChI=1S/C15H25N3O4S/c1-21-13-10-14(22-2)12-15(11-13)23(19,20)17-4-3-7-18-8-5-16-6-9-18/h10-12,16-17H,3-9H2,1-2H3
InChIKeyBOCCLAKYTSNUCK-UHFFFAOYSA-N
XLogP0.28
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-3,5-dimethyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 119994706
2-bromo-5-methoxy-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride
CID 119994618
2,4,6-trimethoxy-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 120874621
3-fluoro-4-methoxy-5-nitro-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride
CID 120706451
1-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)methanesulfonamide
CID 119994792
methyl 3-(3-piperazin-1-ylpropylsulfamoyl)benzoate
CID 119994766
3-fluoro-4-methyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 43607069
4-iodo-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 43607064
4-chloro-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 43443247
3,5-dichloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 43599808
4-fluoro-2,6-dimethyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 120706430
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzenesulfonamide
CID 110445870

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-(3-piperazin-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 3,5-dimethoxy-N-(3-piperazin-1-ylpropyl)benzenesulfonamide (CID 119994383) is 3,5-dimethoxy-N-(3-piperazin-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 3,5-dimethoxy-N-(3-piperazin-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 3,5-dimethoxy-N-(3-piperazin-1-ylpropyl)benzenesulfonamide is COc1cc(OC)cc(S(=O)(=O)NCCCN2CCNCC2)c1.
What is the InChIKey of 3,5-dimethoxy-N-(3-piperazin-1-ylpropyl)benzenesulfonamide?
The InChIKey is BOCCLAKYTSNUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4S/c1-21-13-10-14(22-2)12-15(11-13)23(19,20)17-4-3-7-18-8-5-16-6-9-18/h10-12,16-17H,3-9H2,1-2H3.
What are the key properties of 3,5-dimethoxy-N-(3-piperazin-1-ylpropyl)benzenesulfonamide?
3,5-dimethoxy-N-(3-piperazin-1-ylpropyl)benzenesulfonamide has a molecular weight of 343.45 g/mol, XLogP of 0.28, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-(3-piperazin-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 119994383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).