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

C14H20FN3O3S — CID 110611459

IUPAC4-[3-(4-fluorophenyl)propanoyl]-N-methylpiperazine-1-sulfonamide
SMILESCNS(=O)(=O)N1CCN(C(=O)CCc2ccc(F)cc2)CC1
InChIInChI=1S/C14H20FN3O3S/c1-16-22(20,21)18-10-8-17(9-11-18)14(19)7-4-12-2-5-13(15)6-3-12/h2-3,5-6,16H,4,7-11H2,1H3
InChIKeyMTKYYSDRMYVVJD-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.37
Rot. Bonds5

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

4-[3-(4-fluorophenyl)propanoyl]-N-methylpiperazine-1-sulfonamide (PubChem CID 110611459) has the molecular formula C14H20FN3O3S and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)propanoyl]-N-methylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)propanoyl]-N-methylpiperazine-1-sulfonamide
PubChem CID110611459
Molecular FormulaC14H20FN3O3S
Molecular Weight329.40 g/mol
Exact Mass329.12
IUPAC Name4-[3-(4-fluorophenyl)propanoyl]-N-methylpiperazine-1-sulfonamide
SMILESCNS(=O)(=O)N1CCN(C(=O)CCc2ccc(F)cc2)CC1
InChIInChI=1S/C14H20FN3O3S/c1-16-22(20,21)18-10-8-17(9-11-18)14(19)7-4-12-2-5-13(15)6-3-12/h2-3,5-6,16H,4,7-11H2,1H3
InChIKeyMTKYYSDRMYVVJD-UHFFFAOYSA-N
XLogP0.37
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-1-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110421823
1-(4-butylsulfonyl-1,4-diazepan-1-yl)-3-(4-fluorophenyl)propan-1-one
CID 110799507
4-[3-(4-fluorophenyl)propanoyl]-N-propylpiperazine-1-carboxamide
CID 110421794
3-(4-ethylphenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 41448906
1-[4-[3-(4-fluorophenyl)propanoyl]-1,4-diazepan-1-yl]-3-methylbutan-1-one
CID 110797362
3-(4-fluorophenyl)-1-(4-methylidenepiperidin-1-yl)propan-1-one
CID 70307419
4-[3-(3-fluorophenyl)propanoyl]-N-propylpiperazine-1-sulfonamide
CID 110613992
3-(4-ethylphenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 9429037
1-[(3aR,5S,6S,7aS)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-3-(4-fluorophenyl)propan-1-one
CID 56863969
3-(4-fluorophenyl)-1-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propan-1-one
CID 134046846
1-[3-(4-fluorophenyl)propanoyl]-4-methylpiperidine-4-carboxylic acid
CID 63123576
3-cyclopentyl-1-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 134021012

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)propanoyl]-N-methylpiperazine-1-sulfonamide?
The IUPAC name of 4-[3-(4-fluorophenyl)propanoyl]-N-methylpiperazine-1-sulfonamide (CID 110611459) is 4-[3-(4-fluorophenyl)propanoyl]-N-methylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-[3-(4-fluorophenyl)propanoyl]-N-methylpiperazine-1-sulfonamide?
The canonical SMILES for 4-[3-(4-fluorophenyl)propanoyl]-N-methylpiperazine-1-sulfonamide is CNS(=O)(=O)N1CCN(C(=O)CCc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[3-(4-fluorophenyl)propanoyl]-N-methylpiperazine-1-sulfonamide?
The InChIKey is MTKYYSDRMYVVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O3S/c1-16-22(20,21)18-10-8-17(9-11-18)14(19)7-4-12-2-5-13(15)6-3-12/h2-3,5-6,16H,4,7-11H2,1H3.
What are the key properties of 4-[3-(4-fluorophenyl)propanoyl]-N-methylpiperazine-1-sulfonamide?
4-[3-(4-fluorophenyl)propanoyl]-N-methylpiperazine-1-sulfonamide has a molecular weight of 329.40 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)propanoyl]-N-methylpiperazine-1-sulfonamide is sourced from PubChem (CID 110611459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).