4-(2,3-dimethylphenyl)-N'-(4-fluorophenyl)sulfonylpiperazine-1-carboximidamide

C19H23FN4O2S — CID 46256511

IUPAC4-(2,3-dimethylphenyl)-N'-(4-fluorophenyl)sulfonylpiperazine-1-carboximidamide
SMILESCc1cccc(N2CCN(/C(N)=N\S(=O)(=O)c3ccc(F)cc3)CC2)c1C
InChIInChI=1S/C19H23FN4O2S/c1-14-4-3-5-18(15(14)2)23-10-12-24(13-11-23)19(21)22-27(25,26)17-8-6-16(20)7-9-17/h3-9H,10-13H2,1-2H3,(H2,21,22)
InChIKeySYCSKKKKPJDKSE-UHFFFAOYSA-N
MW390.48 g/mol
LogP2.27
Rot. Bonds3

About 4-(2,3-dimethylphenyl)-N'-(4-fluorophenyl)sulfonylpiperazine-1-carboximidamide

4-(2,3-dimethylphenyl)-N'-(4-fluorophenyl)sulfonylpiperazine-1-carboximidamide (PubChem CID 46256511) has the molecular formula C19H23FN4O2S and a molecular weight of 390.48 g/mol. Its IUPAC name is 4-(2,3-dimethylphenyl)-N'-(4-fluorophenyl)sulfonylpiperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(2,3-dimethylphenyl)-N'-(4-fluorophenyl)sulfonylpiperazine-1-carboximidamide
PubChem CID46256511
Molecular FormulaC19H23FN4O2S
Molecular Weight390.48 g/mol
Exact Mass390.15
IUPAC Name4-(2,3-dimethylphenyl)-N'-(4-fluorophenyl)sulfonylpiperazine-1-carboximidamide
SMILESCc1cccc(N2CCN(/C(N)=N\S(=O)(=O)c3ccc(F)cc3)CC2)c1C
InChIInChI=1S/C19H23FN4O2S/c1-14-4-3-5-18(15(14)2)23-10-12-24(13-11-23)19(21)22-27(25,26)17-8-6-16(20)7-9-17/h3-9H,10-13H2,1-2H3,(H2,21,22)
InChIKeySYCSKKKKPJDKSE-UHFFFAOYSA-N
XLogP2.27
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dimethylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 694818
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 897293
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone;1-fluoro-2-methylbenzene
CID 144750411
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 673636
(4-aminophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 28722555
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanone
CID 53196908
[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 28590852
2-amino-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119828409
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylsulfonylpropan-1-one
CID 51082075
4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2,5-dimethylfuran-3-sulfonamide
CID 94015600
4-(2,3-dimethylphenyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 742913
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 55487253

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenyl)-N'-(4-fluorophenyl)sulfonylpiperazine-1-carboximidamide?
The IUPAC name of 4-(2,3-dimethylphenyl)-N'-(4-fluorophenyl)sulfonylpiperazine-1-carboximidamide (CID 46256511) is 4-(2,3-dimethylphenyl)-N'-(4-fluorophenyl)sulfonylpiperazine-1-carboximidamide.
What is the SMILES notation for 4-(2,3-dimethylphenyl)-N'-(4-fluorophenyl)sulfonylpiperazine-1-carboximidamide?
The canonical SMILES for 4-(2,3-dimethylphenyl)-N'-(4-fluorophenyl)sulfonylpiperazine-1-carboximidamide is Cc1cccc(N2CCN(/C(N)=N\S(=O)(=O)c3ccc(F)cc3)CC2)c1C.
What is the InChIKey of 4-(2,3-dimethylphenyl)-N'-(4-fluorophenyl)sulfonylpiperazine-1-carboximidamide?
The InChIKey is SYCSKKKKPJDKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2S/c1-14-4-3-5-18(15(14)2)23-10-12-24(13-11-23)19(21)22-27(25,26)17-8-6-16(20)7-9-17/h3-9H,10-13H2,1-2H3,(H2,21,22).
What are the key properties of 4-(2,3-dimethylphenyl)-N'-(4-fluorophenyl)sulfonylpiperazine-1-carboximidamide?
4-(2,3-dimethylphenyl)-N'-(4-fluorophenyl)sulfonylpiperazine-1-carboximidamide has a molecular weight of 390.48 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylphenyl)-N'-(4-fluorophenyl)sulfonylpiperazine-1-carboximidamide is sourced from PubChem (CID 46256511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).