1-(2-fluoro-5-methylphenyl)sulfonyl-2-methylpiperazine

C12H17FN2O2S — CID 62673310

IUPAC1-(2-fluoro-5-methylphenyl)sulfonyl-2-methylpiperazine
SMILESCc1ccc(F)c(S(=O)(=O)N2CCNCC2C)c1
InChIInChI=1S/C12H17FN2O2S/c1-9-3-4-11(13)12(7-9)18(16,17)15-6-5-14-8-10(15)2/h3-4,7,10,14H,5-6,8H2,1-2H3
InChIKeyKASVULRJQJHLBQ-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.12
Rot. Bonds2

About 1-(2-fluoro-5-methylphenyl)sulfonyl-2-methylpiperazine

1-(2-fluoro-5-methylphenyl)sulfonyl-2-methylpiperazine (PubChem CID 62673310) has the molecular formula C12H17FN2O2S and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)sulfonyl-2-methylpiperazine.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)sulfonyl-2-methylpiperazine
PubChem CID62673310
Molecular FormulaC12H17FN2O2S
Molecular Weight272.34 g/mol
Exact Mass272.10
IUPAC Name1-(2-fluoro-5-methylphenyl)sulfonyl-2-methylpiperazine
SMILESCc1ccc(F)c(S(=O)(=O)N2CCNCC2C)c1
InChIInChI=1S/C12H17FN2O2S/c1-9-3-4-11(13)12(7-9)18(16,17)15-6-5-14-8-10(15)2/h3-4,7,10,14H,5-6,8H2,1-2H3
InChIKeyKASVULRJQJHLBQ-UHFFFAOYSA-N
XLogP1.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-fluorophenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120894010
1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine
CID 62672958
1-(4-chloro-2-fluorophenyl)sulfonyl-2-methylpiperazine
CID 62672963
(2S)-1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120717060
(2R)-1-(2,5-dimethyl-3-methylsulfonylphenyl)sulfonyl-2-methylpiperazine
CID 120716863
(2S)-1-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120717062
(2S)-1-(2-fluoro-3-methylphenyl)sulfonyl-2-methylpiperazine
CID 99838369
(2S)-2-methyl-1-(3-methylphenyl)sulfonylpiperazine
CID 82755571
2-methyl-1-(4-methylphenyl)sulfonylpiperazine;hydrochloride
CID 119969701
3-fluoro-4-[(2R)-2-methylpiperazin-1-yl]sulfonylbenzonitrile
CID 124691037
(2R)-1-(3-bromo-4-fluorophenyl)sulfonyl-2-methylpiperazine
CID 120716934
1-(3-chloro-4-fluorophenyl)sulfonyl-2-methylpiperazine
CID 62672089

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)sulfonyl-2-methylpiperazine?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)sulfonyl-2-methylpiperazine (CID 62673310) is 1-(2-fluoro-5-methylphenyl)sulfonyl-2-methylpiperazine.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)sulfonyl-2-methylpiperazine?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)sulfonyl-2-methylpiperazine is Cc1ccc(F)c(S(=O)(=O)N2CCNCC2C)c1.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)sulfonyl-2-methylpiperazine?
The InChIKey is KASVULRJQJHLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c1-9-3-4-11(13)12(7-9)18(16,17)15-6-5-14-8-10(15)2/h3-4,7,10,14H,5-6,8H2,1-2H3.
What are the key properties of 1-(2-fluoro-5-methylphenyl)sulfonyl-2-methylpiperazine?
1-(2-fluoro-5-methylphenyl)sulfonyl-2-methylpiperazine has a molecular weight of 272.34 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)sulfonyl-2-methylpiperazine is sourced from PubChem (CID 62673310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).