N-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]acetamide

C18H20FN3O3S — CID 1158574

IUPACN-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C18H20FN3O3S/c1-14(23)20-15-6-8-16(9-7-15)26(24,25)22-12-10-21(11-13-22)18-5-3-2-4-17(18)19/h2-9H,10-13H2,1H3,(H,20,23)
InChIKeyCBCQTTNGIUBMOZ-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.30
Rot. Bonds4

About N-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]acetamide

N-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]acetamide (PubChem CID 1158574) has the molecular formula C18H20FN3O3S and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]acetamide
PubChem CID1158574
Molecular FormulaC18H20FN3O3S
Molecular Weight377.44 g/mol
Exact Mass377.12
IUPAC NameN-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C18H20FN3O3S/c1-14(23)20-15-6-8-16(9-7-15)26(24,25)22-12-10-21(11-13-22)18-5-3-2-4-17(18)19/h2-9H,10-13H2,1H3,(H,20,23)
InChIKeyCBCQTTNGIUBMOZ-UHFFFAOYSA-N
XLogP2.30
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]acetamide (CID 1158574) is N-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1.
What is the InChIKey of N-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is CBCQTTNGIUBMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3S/c1-14(23)20-15-6-8-16(9-7-15)26(24,25)22-12-10-21(11-13-22)18-5-3-2-4-17(18)19/h2-9H,10-13H2,1H3,(H,20,23).
What are the key properties of N-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 377.44 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 1158574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).