1-(2,6-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine

C17H18Cl2N2O3S — CID 4089180

IUPAC1-(2,6-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C17H18Cl2N2O3S/c1-24-16-8-3-2-7-15(16)20-9-11-21(12-10-20)25(22,23)17-13(18)5-4-6-14(17)19/h2-8H,9-12H2,1H3
InChIKeyYELVVQJLRSKCCX-UHFFFAOYSA-N
MW401.32 g/mol
LogP3.51
Rot. Bonds4

About 1-(2,6-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine

1-(2,6-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine (PubChem CID 4089180) has the molecular formula C17H18Cl2N2O3S and a molecular weight of 401.32 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
PubChem CID4089180
Molecular FormulaC17H18Cl2N2O3S
Molecular Weight401.32 g/mol
Exact Mass400.04
IUPAC Name1-(2,6-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C17H18Cl2N2O3S/c1-24-16-8-3-2-7-15(16)20-9-11-21(12-10-20)25(22,23)17-13(18)5-4-6-14(17)19/h2-8H,9-12H2,1H3
InChIKeyYELVVQJLRSKCCX-UHFFFAOYSA-N
XLogP3.51
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.32
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 3720824
1-(3,5-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 2741701
1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 23932557
1-(2-methoxyphenyl)-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperazine
CID 1049011
1-(2-chloro-6-methylphenyl)sulfonyl-4-(2,4-dimethoxyphenyl)piperazine
CID 6737037
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1201987
4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-5-methyl-1,2-oxazol-3-amine
CID 56731158
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 91669754
1-(4-fluoro-2-methoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1085530
1-(2-methoxy-4-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1143543
1-(2-chlorophenyl)-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine
CID 1296699
2-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide
CID 17319627

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-(2,6-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine (CID 4089180) is 1-(2,6-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-(2,6-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 1-(2,6-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine?
The InChIKey is YELVVQJLRSKCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3S/c1-24-16-8-3-2-7-15(16)20-9-11-21(12-10-20)25(22,23)17-13(18)5-4-6-14(17)19/h2-8H,9-12H2,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine?
1-(2,6-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine has a molecular weight of 401.32 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 4089180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).