4-[3-(4-fluorophenyl)propyl]-N-propylpiperazine-1-sulfonamide

C16H26FN3O2S — CID 110608688

IUPAC4-[3-(4-fluorophenyl)propyl]-N-propylpiperazine-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CCN(CCCc2ccc(F)cc2)CC1
InChIInChI=1S/C16H26FN3O2S/c1-2-9-18-23(21,22)20-13-11-19(12-14-20)10-3-4-15-5-7-16(17)8-6-15/h5-8,18H,2-4,9-14H2,1H3
InChIKeyXYSZIIKNHPIJFP-UHFFFAOYSA-N
MW343.47 g/mol
LogP1.62
Rot. Bonds8

About 4-[3-(4-fluorophenyl)propyl]-N-propylpiperazine-1-sulfonamide

4-[3-(4-fluorophenyl)propyl]-N-propylpiperazine-1-sulfonamide (PubChem CID 110608688) has the molecular formula C16H26FN3O2S and a molecular weight of 343.47 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)propyl]-N-propylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)propyl]-N-propylpiperazine-1-sulfonamide
PubChem CID110608688
Molecular FormulaC16H26FN3O2S
Molecular Weight343.47 g/mol
Exact Mass343.17
IUPAC Name4-[3-(4-fluorophenyl)propyl]-N-propylpiperazine-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CCN(CCCc2ccc(F)cc2)CC1
InChIInChI=1S/C16H26FN3O2S/c1-2-9-18-23(21,22)20-13-11-19(12-14-20)10-3-4-15-5-7-16(17)8-6-15/h5-8,18H,2-4,9-14H2,1H3
InChIKeyXYSZIIKNHPIJFP-UHFFFAOYSA-N
XLogP1.62
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentylsulfonyl-4-[3-(4-fluorophenyl)propyl]piperazine
CID 110616620
1-benzylsulfonyl-4-[3-(4-fluorophenyl)propyl]piperazine
CID 110413693
1-[4-[3-(4-fluorophenyl)propyl]piperazin-1-yl]butan-1-one
CID 110413582
N-ethyl-4-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide;hydrochloride
CID 70476620
4-[3-(4-fluorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110413646
1-[2-(4-fluorophenyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine
CID 110290651
(3R)-N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-sulfonamide
CID 35296389
1-[3-(4-fluorophenyl)propyl]piperidin-4-ol
CID 21180751
1-[(4-fluorophenyl)methyl]-4-propylsulfonylpiperazine
CID 770688
N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-propylbenzenesulfonamide
CID 47812603
2-[4-(4-hexylphenyl)sulfonylpiperazin-1-yl]ethanol
CID 84558276
1-(3-fluorophenyl)sulfonyl-4-(3-phenylpropyl)piperazine
CID 55439469

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)propyl]-N-propylpiperazine-1-sulfonamide?
The IUPAC name of 4-[3-(4-fluorophenyl)propyl]-N-propylpiperazine-1-sulfonamide (CID 110608688) is 4-[3-(4-fluorophenyl)propyl]-N-propylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-[3-(4-fluorophenyl)propyl]-N-propylpiperazine-1-sulfonamide?
The canonical SMILES for 4-[3-(4-fluorophenyl)propyl]-N-propylpiperazine-1-sulfonamide is CCCNS(=O)(=O)N1CCN(CCCc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[3-(4-fluorophenyl)propyl]-N-propylpiperazine-1-sulfonamide?
The InChIKey is XYSZIIKNHPIJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O2S/c1-2-9-18-23(21,22)20-13-11-19(12-14-20)10-3-4-15-5-7-16(17)8-6-15/h5-8,18H,2-4,9-14H2,1H3.
What are the key properties of 4-[3-(4-fluorophenyl)propyl]-N-propylpiperazine-1-sulfonamide?
4-[3-(4-fluorophenyl)propyl]-N-propylpiperazine-1-sulfonamide has a molecular weight of 343.47 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)propyl]-N-propylpiperazine-1-sulfonamide is sourced from PubChem (CID 110608688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).