1-(3,4-difluorophenyl)sulfonyl-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine

C16H20F2N4O2S — CID 22208261

IUPAC1-(3,4-difluorophenyl)sulfonyl-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine
SMILESCc1nn(C)cc1CN1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C16H20F2N4O2S/c1-12-13(10-20(2)19-12)11-21-5-7-22(8-6-21)25(23,24)14-3-4-15(17)16(18)9-14/h3-4,9-10H,5-8,11H2,1-2H3
InChIKeyWBIJBZAMHDZBOJ-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.51
Rot. Bonds4

About 1-(3,4-difluorophenyl)sulfonyl-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine

1-(3,4-difluorophenyl)sulfonyl-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine (PubChem CID 22208261) has the molecular formula C16H20F2N4O2S and a molecular weight of 370.43 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)sulfonyl-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)sulfonyl-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine
PubChem CID22208261
Molecular FormulaC16H20F2N4O2S
Molecular Weight370.43 g/mol
Exact Mass370.13
IUPAC Name1-(3,4-difluorophenyl)sulfonyl-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine
SMILESCc1nn(C)cc1CN1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C16H20F2N4O2S/c1-12-13(10-20(2)19-12)11-21-5-7-22(8-6-21)25(23,24)14-3-4-15(17)16(18)9-14/h3-4,9-10H,5-8,11H2,1-2H3
InChIKeyWBIJBZAMHDZBOJ-UHFFFAOYSA-N
XLogP1.51
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-ethylsulfonylpiperazine
CID 22208274
1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine
CID 22208281
1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
CID 22208278
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(3-chloro-4-fluorophenyl)sulfonylpiperazine
CID 78833769
1-(2-chloroethyl)-4-(3,4-difluorophenyl)sulfonylpiperazine
CID 63397139
6-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 46677423
1-(3,4-difluorophenyl)sulfonyl-4-ethylsulfonyl-1,4-diazepane
CID 110799661
1-(1-benzothiophen-3-ylmethyl)-4-(3,4-difluorophenyl)sulfonylpiperazine
CID 24556207
1-(3,4-difluorophenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine
CID 17374335
1-(3,4-difluorophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine
CID 17446186
4-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole
CID 53084876
1-(benzenesulfonyl)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine
CID 22208440

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine?
The IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine (CID 22208261) is 1-(3,4-difluorophenyl)sulfonyl-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-(3,4-difluorophenyl)sulfonyl-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 1-(3,4-difluorophenyl)sulfonyl-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine is Cc1nn(C)cc1CN1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 1-(3,4-difluorophenyl)sulfonyl-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine?
The InChIKey is WBIJBZAMHDZBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N4O2S/c1-12-13(10-20(2)19-12)11-21-5-7-22(8-6-21)25(23,24)14-3-4-15(17)16(18)9-14/h3-4,9-10H,5-8,11H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)sulfonyl-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine?
1-(3,4-difluorophenyl)sulfonyl-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine has a molecular weight of 370.43 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)sulfonyl-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 22208261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).