3-(4-fluorophenyl)sulfonyl-N-(4-methylpiperazin-1-yl)propanamide

C14H20FN3O3S — CID 9205248

IUPAC3-(4-fluorophenyl)sulfonyl-N-(4-methylpiperazin-1-yl)propanamide
SMILESCN1CCN(NC(=O)CCS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C14H20FN3O3S/c1-17-7-9-18(10-8-17)16-14(19)6-11-22(20,21)13-4-2-12(15)3-5-13/h2-5H,6-11H2,1H3,(H,16,19)
InChIKeyTZXSMYNZHBFHCF-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.27
Rot. Bonds5

About 3-(4-fluorophenyl)sulfonyl-N-(4-methylpiperazin-1-yl)propanamide

3-(4-fluorophenyl)sulfonyl-N-(4-methylpiperazin-1-yl)propanamide (PubChem CID 9205248) has the molecular formula C14H20FN3O3S and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonyl-N-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonyl-N-(4-methylpiperazin-1-yl)propanamide
PubChem CID9205248
Molecular FormulaC14H20FN3O3S
Molecular Weight329.40 g/mol
Exact Mass329.12
IUPAC Name3-(4-fluorophenyl)sulfonyl-N-(4-methylpiperazin-1-yl)propanamide
SMILESCN1CCN(NC(=O)CCS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C14H20FN3O3S/c1-17-7-9-18(10-8-17)16-14(19)6-11-22(20,21)13-4-2-12(15)3-5-13/h2-5H,6-11H2,1H3,(H,16,19)
InChIKeyTZXSMYNZHBFHCF-UHFFFAOYSA-N
XLogP0.27
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfonyl-N-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of 3-(4-fluorophenyl)sulfonyl-N-(4-methylpiperazin-1-yl)propanamide (CID 9205248) is 3-(4-fluorophenyl)sulfonyl-N-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonyl-N-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for 3-(4-fluorophenyl)sulfonyl-N-(4-methylpiperazin-1-yl)propanamide is CN1CCN(NC(=O)CCS(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 3-(4-fluorophenyl)sulfonyl-N-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is TZXSMYNZHBFHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O3S/c1-17-7-9-18(10-8-17)16-14(19)6-11-22(20,21)13-4-2-12(15)3-5-13/h2-5H,6-11H2,1H3,(H,16,19).
What are the key properties of 3-(4-fluorophenyl)sulfonyl-N-(4-methylpiperazin-1-yl)propanamide?
3-(4-fluorophenyl)sulfonyl-N-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 329.40 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfonyl-N-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 9205248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).