1-(5-fluoro-2-methylphenyl)sulfonylpiperazine-2-carbonitrile

C12H14FN3O2S — CID 79092149

IUPAC1-(5-fluoro-2-methylphenyl)sulfonylpiperazine-2-carbonitrile
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCNCC1C#N
InChIInChI=1S/C12H14FN3O2S/c1-9-2-3-10(13)6-12(9)19(17,18)16-5-4-15-8-11(16)7-14/h2-3,6,11,15H,4-5,8H2,1H3
InChIKeyUZEFBJPZSYUTEU-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.62
Rot. Bonds2

About 1-(5-fluoro-2-methylphenyl)sulfonylpiperazine-2-carbonitrile

1-(5-fluoro-2-methylphenyl)sulfonylpiperazine-2-carbonitrile (PubChem CID 79092149) has the molecular formula C12H14FN3O2S and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)sulfonylpiperazine-2-carbonitrile.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)sulfonylpiperazine-2-carbonitrile
PubChem CID79092149
Molecular FormulaC12H14FN3O2S
Molecular Weight283.33 g/mol
Exact Mass283.08
IUPAC Name1-(5-fluoro-2-methylphenyl)sulfonylpiperazine-2-carbonitrile
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCNCC1C#N
InChIInChI=1S/C12H14FN3O2S/c1-9-2-3-10(13)6-12(9)19(17,18)16-5-4-15-8-11(16)7-14/h2-3,6,11,15H,4-5,8H2,1H3
InChIKeyUZEFBJPZSYUTEU-UHFFFAOYSA-N
XLogP0.62
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloro-4-methylphenyl)sulfonylpiperazine-2-carbonitrile
CID 79091756
3-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-4-methylbenzonitrile
CID 120764745
1-(3-chloro-2-fluorophenyl)sulfonylpiperazine-2-carbonitrile
CID 79091763
5-(2-cyanopiperazin-1-yl)sulfonyl-2-methylbenzamide
CID 79095352
1-(2,3-dichlorophenyl)sulfonylpiperazine-2-carbonitrile
CID 79091610
1-(3-chloro-4-fluorophenyl)sulfonylpiperazine-2-carbonitrile
CID 79091604
1-(4-fluoro-3-nitrophenyl)sulfonylpiperazine-2-carbonitrile
CID 79095219
2-(3-fluorophenyl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperazine
CID 120764989
1-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-2-carbonitrile
CID 79095235
1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperazine-2-carbonitrile
CID 103415236
1-(5-cyanothiophen-2-yl)sulfonylpiperazine-2-carbonitrile
CID 106272927
(2S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 51888037

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)sulfonylpiperazine-2-carbonitrile?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)sulfonylpiperazine-2-carbonitrile (CID 79092149) is 1-(5-fluoro-2-methylphenyl)sulfonylpiperazine-2-carbonitrile.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)sulfonylpiperazine-2-carbonitrile?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)sulfonylpiperazine-2-carbonitrile is Cc1ccc(F)cc1S(=O)(=O)N1CCNCC1C#N.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)sulfonylpiperazine-2-carbonitrile?
The InChIKey is UZEFBJPZSYUTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2S/c1-9-2-3-10(13)6-12(9)19(17,18)16-5-4-15-8-11(16)7-14/h2-3,6,11,15H,4-5,8H2,1H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)sulfonylpiperazine-2-carbonitrile?
1-(5-fluoro-2-methylphenyl)sulfonylpiperazine-2-carbonitrile has a molecular weight of 283.33 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)sulfonylpiperazine-2-carbonitrile is sourced from PubChem (CID 79092149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).