1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-methylpiperazine

C12H16Cl2N2O2S — CID 775480

IUPAC1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-methylpiperazine
SMILESCc1c(Cl)ccc(S(=O)(=O)N2CCN(C)CC2)c1Cl
InChIInChI=1S/C12H16Cl2N2O2S/c1-9-10(13)3-4-11(12(9)14)19(17,18)16-7-5-15(2)6-8-16/h3-4H,5-8H2,1-2H3
InChIKeyIXCWVVQIGBSSDW-UHFFFAOYSA-N
MW323.25 g/mol
LogP2.24
Rot. Bonds2

About 1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-methylpiperazine

1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-methylpiperazine (PubChem CID 775480) has the molecular formula C12H16Cl2N2O2S and a molecular weight of 323.25 g/mol. Its IUPAC name is 1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-methylpiperazine.

Molecular Properties

Compound Name1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-methylpiperazine
PubChem CID775480
Molecular FormulaC12H16Cl2N2O2S
Molecular Weight323.25 g/mol
Exact Mass322.03
IUPAC Name1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-methylpiperazine
SMILESCc1c(Cl)ccc(S(=O)(=O)N2CCN(C)CC2)c1Cl
InChIInChI=1S/C12H16Cl2N2O2S/c1-9-10(13)3-4-11(12(9)14)19(17,18)16-7-5-15(2)6-8-16/h3-4H,5-8H2,1-2H3
InChIKeyIXCWVVQIGBSSDW-UHFFFAOYSA-N
XLogP2.24
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.25
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-dichloro-3-methylphenyl)sulfonylmorpholine
CID 881417
1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,5-dichlorophenyl)piperazine
CID 1178553
1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 2196606
(1S,5R,6R)-3-(2,4-dichloro-3-methylphenyl)sulfonyl-3-azabicyclo[3.2.0]heptan-6-ol
CID 138387091
1-(2,3-dichlorophenyl)sulfonyl-4-methyl-1,4-diazepane chloride
CID 53350610
2,5-dichloro-3-(4-methylpiperazin-1-yl)sulfonylbenzoic acid
CID 43514463
1-(2,3,4-trichlorophenyl)sulfonylpiperidine
CID 21240790
4-chloro-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]aniline
CID 28542859
1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-methylpiperazine chloride
CID 53351945
4-chloro-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 56919777
4-chloro-2-(4-methylpiperazin-1-yl)sulfonylaniline
CID 54888361
(3S,5S)-3,5-dimethyl-1-(2,3,4-trichlorophenyl)sulfonylpiperidine
CID 124680623

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-methylpiperazine?
The IUPAC name of 1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-methylpiperazine (CID 775480) is 1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-methylpiperazine.
What is the SMILES notation for 1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-methylpiperazine?
The canonical SMILES for 1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-methylpiperazine is Cc1c(Cl)ccc(S(=O)(=O)N2CCN(C)CC2)c1Cl.
What is the InChIKey of 1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-methylpiperazine?
The InChIKey is IXCWVVQIGBSSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2S/c1-9-10(13)3-4-11(12(9)14)19(17,18)16-7-5-15(2)6-8-16/h3-4H,5-8H2,1-2H3.
What are the key properties of 1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-methylpiperazine?
1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-methylpiperazine has a molecular weight of 323.25 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-methylpiperazine is sourced from PubChem (CID 775480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).