1-(2,4-difluoro-5-methylphenyl)sulfonyl-3-methylpiperazine;hydrochloride

C12H17ClF2N2O2S — CID 119981915

IUPAC1-(2,4-difluoro-5-methylphenyl)sulfonyl-3-methylpiperazine;hydrochloride
SMILESCc1cc(S(=O)(=O)N2CCNC(C)C2)c(F)cc1F.Cl
InChIInChI=1S/C12H16F2N2O2S.ClH/c1-8-5-12(11(14)6-10(8)13)19(17,18)16-4-3-15-9(2)7-16;/h5-6,9,15H,3-4,7H2,1-2H3;1H
InChIKeyQQICCCIDIPHSDH-UHFFFAOYSA-N
MW326.80 g/mol
LogP1.68
Rot. Bonds2

About 1-(2,4-difluoro-5-methylphenyl)sulfonyl-3-methylpiperazine;hydrochloride

1-(2,4-difluoro-5-methylphenyl)sulfonyl-3-methylpiperazine;hydrochloride (PubChem CID 119981915) has the molecular formula C12H17ClF2N2O2S and a molecular weight of 326.80 g/mol. Its IUPAC name is 1-(2,4-difluoro-5-methylphenyl)sulfonyl-3-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-(2,4-difluoro-5-methylphenyl)sulfonyl-3-methylpiperazine;hydrochloride
PubChem CID119981915
Molecular FormulaC12H17ClF2N2O2S
Molecular Weight326.80 g/mol
Exact Mass326.07
IUPAC Name1-(2,4-difluoro-5-methylphenyl)sulfonyl-3-methylpiperazine;hydrochloride
SMILESCc1cc(S(=O)(=O)N2CCNC(C)C2)c(F)cc1F.Cl
InChIInChI=1S/C12H16F2N2O2S.ClH/c1-8-5-12(11(14)6-10(8)13)19(17,18)16-4-3-15-9(2)7-16;/h5-6,9,15H,3-4,7H2,1-2H3;1H
InChIKeyQQICCCIDIPHSDH-UHFFFAOYSA-N
XLogP1.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.80
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981939
(3R)-1-(2-fluoro-5-methylphenyl)sulfonyl-3-methylpiperazine
CID 104975157
(3S)-1-(4-bromo-2-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 120713063
1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperazine;hydrochloride
CID 119982241
2-chloro-4-fluoro-5-[(3R)-3-methylpiperazin-1-yl]sulfonylbenzoic acid
CID 125448664
1-(4-bromo-2-methylphenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 120710377
3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine;hydrochloride
CID 119982062
1-(2-fluoro-4-nitrophenyl)sulfonyl-3-methylpiperazine
CID 65449190
(3R)-1-(2-fluoro-4-nitrophenyl)sulfonyl-3-methylpiperazine
CID 104975127
1-(2,6-difluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981797
1-(2,5-dichlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981931
(3S)-1-(4,5-dimethoxy-2-methylphenyl)sulfonyl-3-methylpiperazine
CID 104976424

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-5-methylphenyl)sulfonyl-3-methylpiperazine;hydrochloride?
The IUPAC name of 1-(2,4-difluoro-5-methylphenyl)sulfonyl-3-methylpiperazine;hydrochloride (CID 119981915) is 1-(2,4-difluoro-5-methylphenyl)sulfonyl-3-methylpiperazine;hydrochloride.
What is the SMILES notation for 1-(2,4-difluoro-5-methylphenyl)sulfonyl-3-methylpiperazine;hydrochloride?
The canonical SMILES for 1-(2,4-difluoro-5-methylphenyl)sulfonyl-3-methylpiperazine;hydrochloride is Cc1cc(S(=O)(=O)N2CCNC(C)C2)c(F)cc1F.Cl.
What is the InChIKey of 1-(2,4-difluoro-5-methylphenyl)sulfonyl-3-methylpiperazine;hydrochloride?
The InChIKey is QQICCCIDIPHSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2S.ClH/c1-8-5-12(11(14)6-10(8)13)19(17,18)16-4-3-15-9(2)7-16;/h5-6,9,15H,3-4,7H2,1-2H3;1H.
What are the key properties of 1-(2,4-difluoro-5-methylphenyl)sulfonyl-3-methylpiperazine;hydrochloride?
1-(2,4-difluoro-5-methylphenyl)sulfonyl-3-methylpiperazine;hydrochloride has a molecular weight of 326.80 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluoro-5-methylphenyl)sulfonyl-3-methylpiperazine;hydrochloride is sourced from PubChem (CID 119981915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).