N-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenyl]propanamide

C19H22FN3O3S — CID 1091555

IUPACN-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H22FN3O3S/c1-2-19(24)21-16-5-9-18(10-6-16)27(25,26)23-13-11-22(12-14-23)17-7-3-15(20)4-8-17/h3-10H,2,11-14H2,1H3,(H,21,24)
InChIKeyCYXDWBPFJLDJNY-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.69
Rot. Bonds5

About N-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenyl]propanamide

N-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenyl]propanamide (PubChem CID 1091555) has the molecular formula C19H22FN3O3S and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenyl]propanamide.

Molecular Properties

Compound NameN-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenyl]propanamide
PubChem CID1091555
Molecular FormulaC19H22FN3O3S
Molecular Weight391.47 g/mol
Exact Mass391.14
IUPAC NameN-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H22FN3O3S/c1-2-19(24)21-16-5-9-18(10-6-16)27(25,26)23-13-11-22(12-14-23)17-7-3-15(20)4-8-17/h3-10H,2,11-14H2,1H3,(H,21,24)
InChIKeyCYXDWBPFJLDJNY-UHFFFAOYSA-N
XLogP2.69
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenyl]propanamide?
The IUPAC name of N-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenyl]propanamide (CID 1091555) is N-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenyl]propanamide.
What is the SMILES notation for N-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenyl]propanamide?
The canonical SMILES for N-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenyl]propanamide is CCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenyl]propanamide?
The InChIKey is CYXDWBPFJLDJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3S/c1-2-19(24)21-16-5-9-18(10-6-16)27(25,26)23-13-11-22(12-14-23)17-7-3-15(20)4-8-17/h3-10H,2,11-14H2,1H3,(H,21,24).
What are the key properties of N-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenyl]propanamide?
N-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenyl]propanamide has a molecular weight of 391.47 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenyl]propanamide is sourced from PubChem (CID 1091555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).