2-methoxy-5-[5-(4-phenylpiperazin-1-yl)pentyl]-N-propylbenzenesulfonamide

C25H37N3O3S — CID 70458180

IUPAC2-methoxy-5-[5-(4-phenylpiperazin-1-yl)pentyl]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1cc(CCCCCN2CCN(c3ccccc3)CC2)ccc1OC
InChIInChI=1S/C25H37N3O3S/c1-3-15-26-32(29,30)25-21-22(13-14-24(25)31-2)10-6-5-9-16-27-17-19-28(20-18-27)23-11-7-4-8-12-23/h4,7-8,11-14,21,26H,3,5-6,9-10,15-20H2,1-2H3
InChIKeyDMQRADYDWCTGFG-UHFFFAOYSA-N
MW459.66 g/mol
LogP3.92
Rot. Bonds12

About 2-methoxy-5-[5-(4-phenylpiperazin-1-yl)pentyl]-N-propylbenzenesulfonamide

2-methoxy-5-[5-(4-phenylpiperazin-1-yl)pentyl]-N-propylbenzenesulfonamide (PubChem CID 70458180) has the molecular formula C25H37N3O3S and a molecular weight of 459.66 g/mol. Its IUPAC name is 2-methoxy-5-[5-(4-phenylpiperazin-1-yl)pentyl]-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-[5-(4-phenylpiperazin-1-yl)pentyl]-N-propylbenzenesulfonamide
PubChem CID70458180
Molecular FormulaC25H37N3O3S
Molecular Weight459.66 g/mol
Exact Mass459.26
IUPAC Name2-methoxy-5-[5-(4-phenylpiperazin-1-yl)pentyl]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1cc(CCCCCN2CCN(c3ccccc3)CC2)ccc1OC
InChIInChI=1S/C25H37N3O3S/c1-3-15-26-32(29,30)25-21-22(13-14-24(25)31-2)10-6-5-9-16-27-17-19-28(20-18-27)23-11-7-4-8-12-23/h4,7-8,11-14,21,26H,3,5-6,9-10,15-20H2,1-2H3
InChIKeyDMQRADYDWCTGFG-UHFFFAOYSA-N
XLogP3.92
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.66
LogP ≤ 53.92
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

2,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267350
5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 20936585
2-methoxy-5-[5-[4-(2-methylphenyl)piperazin-1-yl]pentyl]benzenesulfonamide
CID 70458167
2-methylsulfonyl-5-[5-(4-phenylpiperazin-1-yl)pentyl]benzenesulfonamide
CID 57291702
2-methylsulfanyl-5-[5-(4-phenylpiperazin-1-yl)pentyl]-N,N-dipropylbenzenesulfonamide
CID 57237384
4-methoxy-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267400
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 42389503
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 42267714
5-chloro-2-methoxy-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzenesulfonamide
CID 16890316
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]guanidine
CID 111213771
3-(dimethylsulfamoyl)-4-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 55638847
3,4-dimethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224538

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[5-(4-phenylpiperazin-1-yl)pentyl]-N-propylbenzenesulfonamide?
The IUPAC name of 2-methoxy-5-[5-(4-phenylpiperazin-1-yl)pentyl]-N-propylbenzenesulfonamide (CID 70458180) is 2-methoxy-5-[5-(4-phenylpiperazin-1-yl)pentyl]-N-propylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-[5-(4-phenylpiperazin-1-yl)pentyl]-N-propylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-5-[5-(4-phenylpiperazin-1-yl)pentyl]-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1cc(CCCCCN2CCN(c3ccccc3)CC2)ccc1OC.
What is the InChIKey of 2-methoxy-5-[5-(4-phenylpiperazin-1-yl)pentyl]-N-propylbenzenesulfonamide?
The InChIKey is DMQRADYDWCTGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O3S/c1-3-15-26-32(29,30)25-21-22(13-14-24(25)31-2)10-6-5-9-16-27-17-19-28(20-18-27)23-11-7-4-8-12-23/h4,7-8,11-14,21,26H,3,5-6,9-10,15-20H2,1-2H3.
What are the key properties of 2-methoxy-5-[5-(4-phenylpiperazin-1-yl)pentyl]-N-propylbenzenesulfonamide?
2-methoxy-5-[5-(4-phenylpiperazin-1-yl)pentyl]-N-propylbenzenesulfonamide has a molecular weight of 459.66 g/mol, XLogP of 3.92, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[5-(4-phenylpiperazin-1-yl)pentyl]-N-propylbenzenesulfonamide is sourced from PubChem (CID 70458180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).