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

C16H24FN3O3S — CID 110613992

IUPAC4-[3-(3-fluorophenyl)propanoyl]-N-propylpiperazine-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CCN(C(=O)CCc2cccc(F)c2)CC1
InChIInChI=1S/C16H24FN3O3S/c1-2-8-18-24(22,23)20-11-9-19(10-12-20)16(21)7-6-14-4-3-5-15(17)13-14/h3-5,13,18H,2,6-12H2,1H3
InChIKeyPIUJKOWWEBJGKP-UHFFFAOYSA-N
MW357.45 g/mol
LogP1.15
Rot. Bonds7

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

4-[3-(3-fluorophenyl)propanoyl]-N-propylpiperazine-1-sulfonamide (PubChem CID 110613992) has the molecular formula C16H24FN3O3S and a molecular weight of 357.45 g/mol. Its IUPAC name is 4-[3-(3-fluorophenyl)propanoyl]-N-propylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[3-(3-fluorophenyl)propanoyl]-N-propylpiperazine-1-sulfonamide
PubChem CID110613992
Molecular FormulaC16H24FN3O3S
Molecular Weight357.45 g/mol
Exact Mass357.15
IUPAC Name4-[3-(3-fluorophenyl)propanoyl]-N-propylpiperazine-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CCN(C(=O)CCc2cccc(F)c2)CC1
InChIInChI=1S/C16H24FN3O3S/c1-2-8-18-24(22,23)20-11-9-19(10-12-20)16(21)7-6-14-4-3-5-15(17)13-14/h3-5,13,18H,2,6-12H2,1H3
InChIKeyPIUJKOWWEBJGKP-UHFFFAOYSA-N
XLogP1.15
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-butylsulfonyl-1,4-diazepan-1-yl)-3-(3-fluorophenyl)propan-1-one
CID 110799511
3-(3-fluorophenyl)-1-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110604614
3-(3-fluorophenyl)-1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110670217
N-[2-(3-fluorophenyl)ethyl]pyrrolidine-1-sulfonamide
CID 127505076
1-[4-[3-(3-fluorophenyl)propanoyl]piperazin-1-yl]-3-methylbutan-1-one
CID 110604587
3-(4-ethylphenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 9429037
4-[3-(4-fluorophenyl)propanoyl]-N-methylpiperazine-1-sulfonamide
CID 110611459
3-(3-fluorophenyl)-1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110604595
1-(4-cyclopropylpiperazin-1-yl)-3-(3-fluorophenyl)propan-1-one
CID 86853553
1-[4-[3-(3-fluorophenyl)propanoyl]-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 110797745
N-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]acetamide
CID 110726946
3-(3-fluorophenyl)-1-[4-(3-thiophen-2-ylpropanoyl)piperazin-1-yl]propan-1-one
CID 110604610

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-fluorophenyl)propanoyl]-N-propylpiperazine-1-sulfonamide?
The IUPAC name of 4-[3-(3-fluorophenyl)propanoyl]-N-propylpiperazine-1-sulfonamide (CID 110613992) is 4-[3-(3-fluorophenyl)propanoyl]-N-propylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-[3-(3-fluorophenyl)propanoyl]-N-propylpiperazine-1-sulfonamide?
The canonical SMILES for 4-[3-(3-fluorophenyl)propanoyl]-N-propylpiperazine-1-sulfonamide is CCCNS(=O)(=O)N1CCN(C(=O)CCc2cccc(F)c2)CC1.
What is the InChIKey of 4-[3-(3-fluorophenyl)propanoyl]-N-propylpiperazine-1-sulfonamide?
The InChIKey is PIUJKOWWEBJGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O3S/c1-2-8-18-24(22,23)20-11-9-19(10-12-20)16(21)7-6-14-4-3-5-15(17)13-14/h3-5,13,18H,2,6-12H2,1H3.
What are the key properties of 4-[3-(3-fluorophenyl)propanoyl]-N-propylpiperazine-1-sulfonamide?
4-[3-(3-fluorophenyl)propanoyl]-N-propylpiperazine-1-sulfonamide has a molecular weight of 357.45 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-fluorophenyl)propanoyl]-N-propylpiperazine-1-sulfonamide is sourced from PubChem (CID 110613992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).