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

C17H18Cl2N2O3S — CID 2741701

IUPAC1-(3,5-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C17H18Cl2N2O3S/c1-24-17-5-3-2-4-16(17)20-6-8-21(9-7-20)25(22,23)15-11-13(18)10-14(19)12-15/h2-5,10-12H,6-9H2,1H3
InChIKeyLFTRJRGSPRTZJM-UHFFFAOYSA-N
MW401.32 g/mol
LogP3.51
Rot. Bonds4

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

1-(3,5-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine (PubChem CID 2741701) has the molecular formula C17H18Cl2N2O3S and a molecular weight of 401.32 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
PubChem CID2741701
Molecular FormulaC17H18Cl2N2O3S
Molecular Weight401.32 g/mol
Exact Mass400.04
IUPAC Name1-(3,5-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C17H18Cl2N2O3S/c1-24-17-5-3-2-4-16(17)20-6-8-21(9-7-20)25(22,23)15-11-13(18)10-14(19)12-15/h2-5,10-12H,6-9H2,1H3
InChIKeyLFTRJRGSPRTZJM-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-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1201987
1-(2,6-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 4089180
1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 23932557
2-methoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid
CID 2324705
1-(2-methoxyphenyl)-4-(4-nitrophenyl)sulfonylpiperazine
CID 1087313
1-(4-ethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1098869
3-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 46088867
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 91669754
1-(2-methoxy-4-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1143543
1-(4-fluoro-2-methoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1085530
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(2-ethylphenyl)piperazine
CID 113075861
2-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide
CID 17319627

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-(3,5-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine (CID 2741701) is 1-(3,5-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-(3,5-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 1-(3,5-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine?
The InChIKey is LFTRJRGSPRTZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3S/c1-24-17-5-3-2-4-16(17)20-6-8-21(9-7-20)25(22,23)15-11-13(18)10-14(19)12-15/h2-5,10-12H,6-9H2,1H3.
What are the key properties of 1-(3,5-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine?
1-(3,5-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-(3,5-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 2741701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).