1-(3-chloro-2-methylphenyl)-4-(4,5-dichloro-2-methylphenyl)sulfonylpiperazine

C18H19Cl3N2O2S — CID 91670016

IUPAC1-(3-chloro-2-methylphenyl)-4-(4,5-dichloro-2-methylphenyl)sulfonylpiperazine
SMILESCc1cc(Cl)c(Cl)cc1S(=O)(=O)N1CCN(c2cccc(Cl)c2C)CC1
InChIInChI=1S/C18H19Cl3N2O2S/c1-12-10-15(20)16(21)11-18(12)26(24,25)23-8-6-22(7-9-23)17-5-3-4-14(19)13(17)2/h3-5,10-11H,6-9H2,1-2H3
InChIKeyQUPWQYGTSNDMMJ-UHFFFAOYSA-N
MW433.79 g/mol
LogP4.77
Rot. Bonds3

About 1-(3-chloro-2-methylphenyl)-4-(4,5-dichloro-2-methylphenyl)sulfonylpiperazine

1-(3-chloro-2-methylphenyl)-4-(4,5-dichloro-2-methylphenyl)sulfonylpiperazine (PubChem CID 91670016) has the molecular formula C18H19Cl3N2O2S and a molecular weight of 433.79 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-4-(4,5-dichloro-2-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-4-(4,5-dichloro-2-methylphenyl)sulfonylpiperazine
PubChem CID91670016
Molecular FormulaC18H19Cl3N2O2S
Molecular Weight433.79 g/mol
Exact Mass432.02
IUPAC Name1-(3-chloro-2-methylphenyl)-4-(4,5-dichloro-2-methylphenyl)sulfonylpiperazine
SMILESCc1cc(Cl)c(Cl)cc1S(=O)(=O)N1CCN(c2cccc(Cl)c2C)CC1
InChIInChI=1S/C18H19Cl3N2O2S/c1-12-10-15(20)16(21)11-18(12)26(24,25)23-8-6-22(7-9-23)17-5-3-4-14(19)13(17)2/h3-5,10-11H,6-9H2,1-2H3
InChIKeyQUPWQYGTSNDMMJ-UHFFFAOYSA-N
XLogP4.77
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.79
LogP ≤ 54.77
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-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 2114453
1-(3-chloro-2-methylphenyl)-4-(4-iodophenyl)sulfonylpiperazine
CID 91670020
1-(8-chloronaphthalen-1-yl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 3520156
1-(3-chloro-2-methylphenyl)-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine
CID 2211092
1-(3-chloro-2-methylphenyl)-4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazine
CID 91669996
1-(3-chloro-2-methylphenyl)-4-(2,5-diethoxyphenyl)sulfonylpiperazine
CID 1178575
1-(2-ethylphenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
CID 91669823
1-(3-chloro-2-methylphenyl)sulfonyl-4-phenylpiperazine
CID 11951648
1-(2,4-dimethylphenyl)sulfonyl-4-(2-methylphenyl)piperazine
CID 6465958
1-(2,3-dichlorophenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine
CID 6736955
1-(4-bromo-3-ethoxyphenyl)sulfonyl-4-(3-chloro-2-methylphenyl)piperazine
CID 91670040

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-4-(4,5-dichloro-2-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-4-(4,5-dichloro-2-methylphenyl)sulfonylpiperazine (CID 91670016) is 1-(3-chloro-2-methylphenyl)-4-(4,5-dichloro-2-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-4-(4,5-dichloro-2-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-4-(4,5-dichloro-2-methylphenyl)sulfonylpiperazine is Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N1CCN(c2cccc(Cl)c2C)CC1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-4-(4,5-dichloro-2-methylphenyl)sulfonylpiperazine?
The InChIKey is QUPWQYGTSNDMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl3N2O2S/c1-12-10-15(20)16(21)11-18(12)26(24,25)23-8-6-22(7-9-23)17-5-3-4-14(19)13(17)2/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-4-(4,5-dichloro-2-methylphenyl)sulfonylpiperazine?
1-(3-chloro-2-methylphenyl)-4-(4,5-dichloro-2-methylphenyl)sulfonylpiperazine has a molecular weight of 433.79 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-4-(4,5-dichloro-2-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 91670016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).