1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride

C12H17Cl3N2O3S — CID 119969956

IUPAC1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride
SMILESCOc1cc(Cl)c(S(=O)(=O)N2CCNCC2C)cc1Cl.Cl
InChIInChI=1S/C12H16Cl2N2O3S.ClH/c1-8-7-15-3-4-16(8)20(17,18)12-6-9(13)11(19-2)5-10(12)14;/h5-6,8,15H,3-4,7H2,1-2H3;1H
InChIKeyFPFTVOARQDSCSJ-UHFFFAOYSA-N
MW375.71 g/mol
LogP2.41
Rot. Bonds3

About 1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride

1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride (PubChem CID 119969956) has the molecular formula C12H17Cl3N2O3S and a molecular weight of 375.71 g/mol. Its IUPAC name is 1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride
PubChem CID119969956
Molecular FormulaC12H17Cl3N2O3S
Molecular Weight375.71 g/mol
Exact Mass374.00
IUPAC Name1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride
SMILESCOc1cc(Cl)c(S(=O)(=O)N2CCNCC2C)cc1Cl.Cl
InChIInChI=1S/C12H16Cl2N2O3S.ClH/c1-8-7-15-3-4-16(8)20(17,18)12-6-9(13)11(19-2)5-10(12)14;/h5-6,8,15H,3-4,7H2,1-2H3;1H
InChIKeyFPFTVOARQDSCSJ-UHFFFAOYSA-N
XLogP2.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.71
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromo-5-chloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine
CID 119970051
(2S)-1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120717060
(2S)-1-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120717062
1-(4-bromo-2,5-dimethoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120708143
1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine
CID 62672958
(2R)-1-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2-methylpiperazine
CID 82745353
4-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine
CID 163308289
(2R)-1-(2-methoxy-4-nitrophenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120717030
(2S)-2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine;hydrochloride
CID 120717146
1-(5-chloro-2-fluorophenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120894010
4-chloro-3-[(2S)-2-methylpiperazin-1-yl]sulfonylbenzonitrile
CID 82755462
(2S)-1-(2-methoxy-5-nitrophenyl)sulfonyl-2-methylpiperazine
CID 82744915

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride?
The IUPAC name of 1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride (CID 119969956) is 1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride.
What is the SMILES notation for 1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride?
The canonical SMILES for 1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride is COc1cc(Cl)c(S(=O)(=O)N2CCNCC2C)cc1Cl.Cl.
What is the InChIKey of 1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride?
The InChIKey is FPFTVOARQDSCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O3S.ClH/c1-8-7-15-3-4-16(8)20(17,18)12-6-9(13)11(19-2)5-10(12)14;/h5-6,8,15H,3-4,7H2,1-2H3;1H.
What are the key properties of 1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride?
1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride has a molecular weight of 375.71 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride is sourced from PubChem (CID 119969956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).