2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(1H-pyrazol-5-yl)acetamide

C15H18FN5O3S — CID 56926498

IUPAC2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(1H-pyrazol-5-yl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccn[nH]1
InChIInChI=1S/C15H18FN5O3S/c16-12-1-3-13(4-2-12)25(23,24)21-9-7-20(8-10-21)11-15(22)18-14-5-6-17-19-14/h1-6H,7-11H2,(H2,17,18,19,22)
InChIKeySJAGFBCJGSNQPZ-UHFFFAOYSA-N
MW367.41 g/mol
LogP0.49
Rot. Bonds5

About 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(1H-pyrazol-5-yl)acetamide

2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(1H-pyrazol-5-yl)acetamide (PubChem CID 56926498) has the molecular formula C15H18FN5O3S and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(1H-pyrazol-5-yl)acetamide
PubChem CID56926498
Molecular FormulaC15H18FN5O3S
Molecular Weight367.41 g/mol
Exact Mass367.11
IUPAC Name2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(1H-pyrazol-5-yl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccn[nH]1
InChIInChI=1S/C15H18FN5O3S/c16-12-1-3-13(4-2-12)25(23,24)21-9-7-20(8-10-21)11-15(22)18-14-5-6-17-19-14/h1-6H,7-11H2,(H2,17,18,19,22)
InChIKeySJAGFBCJGSNQPZ-UHFFFAOYSA-N
XLogP0.49
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(1H-pyrazol-5-yl)acetamide (CID 56926498) is 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(1H-pyrazol-5-yl)acetamide is O=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccn[nH]1.
What is the InChIKey of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(1H-pyrazol-5-yl)acetamide?
The InChIKey is SJAGFBCJGSNQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O3S/c16-12-1-3-13(4-2-12)25(23,24)21-9-7-20(8-10-21)11-15(22)18-14-5-6-17-19-14/h1-6H,7-11H2,(H2,17,18,19,22).
What are the key properties of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(1H-pyrazol-5-yl)acetamide?
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(1H-pyrazol-5-yl)acetamide has a molecular weight of 367.41 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 56926498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).