1-(2-fluorophenyl)-4-(1H-pyrazol-5-ylsulfonyl)piperazine

C13H15FN4O2S — CID 102691816

IUPAC1-(2-fluorophenyl)-4-(1H-pyrazol-5-ylsulfonyl)piperazine
SMILESO=S(=O)(c1ccn[nH]1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C13H15FN4O2S/c14-11-3-1-2-4-12(11)17-7-9-18(10-8-17)21(19,20)13-5-6-15-16-13/h1-6H,7-10H2,(H,15,16)
InChIKeyUTNCMFDEASGXAH-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.06
Rot. Bonds3

About 1-(2-fluorophenyl)-4-(1H-pyrazol-5-ylsulfonyl)piperazine

1-(2-fluorophenyl)-4-(1H-pyrazol-5-ylsulfonyl)piperazine (PubChem CID 102691816) has the molecular formula C13H15FN4O2S and a molecular weight of 310.35 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-(1H-pyrazol-5-ylsulfonyl)piperazine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-(1H-pyrazol-5-ylsulfonyl)piperazine
PubChem CID102691816
Molecular FormulaC13H15FN4O2S
Molecular Weight310.35 g/mol
Exact Mass310.09
IUPAC Name1-(2-fluorophenyl)-4-(1H-pyrazol-5-ylsulfonyl)piperazine
SMILESO=S(=O)(c1ccn[nH]1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C13H15FN4O2S/c14-11-3-1-2-4-12(11)17-7-9-18(10-8-17)21(19,20)13-5-6-15-16-13/h1-6H,7-10H2,(H,15,16)
InChIKeyUTNCMFDEASGXAH-UHFFFAOYSA-N
XLogP1.06
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-4-(1H-pyrazol-5-ylsulfonyl)piperazine
CID 102691515
7-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 46341336
N-(2-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-sulfonamide
CID 102692559
1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-(2-fluorophenyl)piperazine
CID 26946811
5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 113076621
(4S)-4-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one
CID 42558865
1-(1H-pyrazol-5-ylsulfonyl)-4-(pyridin-4-ylmethyl)piperazine
CID 102692027
2-[4-(1H-pyrazol-5-ylsulfonyl)piperazin-1-yl]ethanethioamide
CID 102691203
N-(2-fluorophenyl)-1H-pyrazole-5-sulfonamide
CID 102691575
1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-fluorophenyl)piperazine
CID 3554016
1-(2-fluorophenyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine
CID 113076622
4-phenyl-1-(1H-pyrazol-5-ylsulfonyl)-3,6-dihydro-2H-pyridine
CID 102691824

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-(1H-pyrazol-5-ylsulfonyl)piperazine?
The IUPAC name of 1-(2-fluorophenyl)-4-(1H-pyrazol-5-ylsulfonyl)piperazine (CID 102691816) is 1-(2-fluorophenyl)-4-(1H-pyrazol-5-ylsulfonyl)piperazine.
What is the SMILES notation for 1-(2-fluorophenyl)-4-(1H-pyrazol-5-ylsulfonyl)piperazine?
The canonical SMILES for 1-(2-fluorophenyl)-4-(1H-pyrazol-5-ylsulfonyl)piperazine is O=S(=O)(c1ccn[nH]1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-4-(1H-pyrazol-5-ylsulfonyl)piperazine?
The InChIKey is UTNCMFDEASGXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O2S/c14-11-3-1-2-4-12(11)17-7-9-18(10-8-17)21(19,20)13-5-6-15-16-13/h1-6H,7-10H2,(H,15,16).
What are the key properties of 1-(2-fluorophenyl)-4-(1H-pyrazol-5-ylsulfonyl)piperazine?
1-(2-fluorophenyl)-4-(1H-pyrazol-5-ylsulfonyl)piperazine has a molecular weight of 310.35 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-(1H-pyrazol-5-ylsulfonyl)piperazine is sourced from PubChem (CID 102691816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).