1-(3,5-difluorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine

C15H18F2N4O2S — CID 121094992

IUPAC1-(3,5-difluorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine
SMILESO=S(=O)(c1cc(F)cc(F)c1)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C15H18F2N4O2S/c16-13-10-14(17)12-15(11-13)24(22,23)21-8-5-19(6-9-21)4-7-20-3-1-2-18-20/h1-3,10-12H,4-9H2
InChIKeyFVMALVFAAMBOJR-UHFFFAOYSA-N
MW356.40 g/mol
LogP1.17
Rot. Bonds5

About 1-(3,5-difluorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine

1-(3,5-difluorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine (PubChem CID 121094992) has the molecular formula C15H18F2N4O2S and a molecular weight of 356.40 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine
PubChem CID121094992
Molecular FormulaC15H18F2N4O2S
Molecular Weight356.40 g/mol
Exact Mass356.11
IUPAC Name1-(3,5-difluorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine
SMILESO=S(=O)(c1cc(F)cc(F)c1)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C15H18F2N4O2S/c16-13-10-14(17)12-15(11-13)24(22,23)21-8-5-19(6-9-21)4-7-20-3-1-2-18-20/h1-3,10-12H,4-9H2
InChIKeyFVMALVFAAMBOJR-UHFFFAOYSA-N
XLogP1.17
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-fluorophenyl)methylsulfonyl]-4-(2-pyrazol-1-ylethyl)piperazine
CID 121094988
1-(5-bromothiophen-2-yl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine
CID 121094990
1-[3-[4-(5-pyrazol-1-ylpentyl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 56550483
1-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol
CID 126770684
1-(4-methoxy-3-nitrophenyl)sulfonyl-4-(5-pyrazol-1-ylpentyl)piperazine
CID 56550328
4-cyclopropylidene-1-(3,5-difluorophenyl)sulfonylpiperidine
CID 121187243
1-(3,5-difluorophenyl)sulfonylpiperidin-4-one
CID 150339337
2-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]isoindole-1,3-dione
CID 8966684
3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanenitrile
CID 8966713
1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-pyrazol-1-ylethanone
CID 99163816
N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-pyrazol-1-ylbutanamide
CID 49319709
3-fluoro-N-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide
CID 100653397

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine?
The IUPAC name of 1-(3,5-difluorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine (CID 121094992) is 1-(3,5-difluorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine.
What is the SMILES notation for 1-(3,5-difluorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine?
The canonical SMILES for 1-(3,5-difluorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine is O=S(=O)(c1cc(F)cc(F)c1)N1CCN(CCn2cccn2)CC1.
What is the InChIKey of 1-(3,5-difluorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine?
The InChIKey is FVMALVFAAMBOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4O2S/c16-13-10-14(17)12-15(11-13)24(22,23)21-8-5-19(6-9-21)4-7-20-3-1-2-18-20/h1-3,10-12H,4-9H2.
What are the key properties of 1-(3,5-difluorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine?
1-(3,5-difluorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine has a molecular weight of 356.40 g/mol, XLogP of 1.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine is sourced from PubChem (CID 121094992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).