1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,5-dichlorophenyl)piperazine

C17H16Cl4N2O2S — CID 1178553

IUPAC1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,5-dichlorophenyl)piperazine
SMILESCc1c(Cl)ccc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)c1Cl
InChIInChI=1S/C17H16Cl4N2O2S/c1-11-13(19)4-5-16(17(11)21)26(24,25)23-8-6-22(7-9-23)15-10-12(18)2-3-14(15)20/h2-5,10H,6-9H2,1H3
InChIKeyNQZXTHWGSYEAGX-UHFFFAOYSA-N
MW454.21 g/mol
LogP5.12
Rot. Bonds3

About 1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,5-dichlorophenyl)piperazine

1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,5-dichlorophenyl)piperazine (PubChem CID 1178553) has the molecular formula C17H16Cl4N2O2S and a molecular weight of 454.21 g/mol. Its IUPAC name is 1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,5-dichlorophenyl)piperazine.

Molecular Properties

Compound Name1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,5-dichlorophenyl)piperazine
PubChem CID1178553
Molecular FormulaC17H16Cl4N2O2S
Molecular Weight454.21 g/mol
Exact Mass451.97
IUPAC Name1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,5-dichlorophenyl)piperazine
SMILESCc1c(Cl)ccc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)c1Cl
InChIInChI=1S/C17H16Cl4N2O2S/c1-11-13(19)4-5-16(17(11)21)26(24,25)23-8-6-22(7-9-23)15-10-12(18)2-3-14(15)20/h2-5,10H,6-9H2,1H3
InChIKeyNQZXTHWGSYEAGX-UHFFFAOYSA-N
XLogP5.12
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.21
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 2196606
1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-methylpiperazine
CID 775480
1-(2-chloro-5-methoxyphenyl)sulfonyl-4-(2,5-dichlorophenyl)piperazine
CID 1178550
4-(2,4-dichloro-3-methylphenyl)sulfonylmorpholine
CID 881417
4-[4-(2,5-dichlorophenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 113080319
1-(2,5-dichlorophenyl)-4-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylpiperazine
CID 1289983
1-(2,4-dichlorophenyl)-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 113080251
1-(2,5-dichlorophenyl)sulfonyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
CID 19684894
1-(5-chloro-2-methylphenyl)-4-methylsulfonylpiperazine
CID 900483
methyl 2-[4-[4-(2,5-dichlorophenyl)piperazin-1-yl]sulfonylphenyl]-2-methylpropanoate
CID 167946256
(1S,5R,6R)-3-(2,4-dichloro-3-methylphenyl)sulfonyl-3-azabicyclo[3.2.0]heptan-6-ol
CID 138387091
1-(3-chloro-2-methylphenyl)-4-(4,5-dichloro-2-methylphenyl)sulfonylpiperazine
CID 91670016

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,5-dichlorophenyl)piperazine?
The IUPAC name of 1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,5-dichlorophenyl)piperazine (CID 1178553) is 1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,5-dichlorophenyl)piperazine.
What is the SMILES notation for 1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,5-dichlorophenyl)piperazine?
The canonical SMILES for 1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,5-dichlorophenyl)piperazine is Cc1c(Cl)ccc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)c1Cl.
What is the InChIKey of 1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,5-dichlorophenyl)piperazine?
The InChIKey is NQZXTHWGSYEAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl4N2O2S/c1-11-13(19)4-5-16(17(11)21)26(24,25)23-8-6-22(7-9-23)15-10-12(18)2-3-14(15)20/h2-5,10H,6-9H2,1H3.
What are the key properties of 1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,5-dichlorophenyl)piperazine?
1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,5-dichlorophenyl)piperazine has a molecular weight of 454.21 g/mol, XLogP of 5.12, 3 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-(2,5-dichlorophenyl)piperazine is sourced from PubChem (CID 1178553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).