1-(4-chlorophenyl)sulfonyl-4-(2,6-dichlorophenyl)sulfonylpiperazine

C16H15Cl3N2O4S2 — CID 35934098

IUPAC1-(4-chlorophenyl)sulfonyl-4-(2,6-dichlorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C16H15Cl3N2O4S2/c17-12-4-6-13(7-5-12)26(22,23)20-8-10-21(11-9-20)27(24,25)16-14(18)2-1-3-15(16)19/h1-7H,8-11H2
InChIKeyWMRJHMREZGJQSP-UHFFFAOYSA-N
MW469.80 g/mol
LogP3.34
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-4-(2,6-dichlorophenyl)sulfonylpiperazine

1-(4-chlorophenyl)sulfonyl-4-(2,6-dichlorophenyl)sulfonylpiperazine (PubChem CID 35934098) has the molecular formula C16H15Cl3N2O4S2 and a molecular weight of 469.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-4-(2,6-dichlorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-4-(2,6-dichlorophenyl)sulfonylpiperazine
PubChem CID35934098
Molecular FormulaC16H15Cl3N2O4S2
Molecular Weight469.80 g/mol
Exact Mass467.95
IUPAC Name1-(4-chlorophenyl)sulfonyl-4-(2,6-dichlorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C16H15Cl3N2O4S2/c17-12-4-6-13(7-5-12)26(22,23)20-8-10-21(11-9-20)27(24,25)16-14(18)2-1-3-15(16)19/h1-7H,8-11H2
InChIKeyWMRJHMREZGJQSP-UHFFFAOYSA-N
XLogP3.34
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.80
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chlorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 26181355
1,3-dichloro-2-(4-chlorophenyl)sulfonylbenzene
CID 101290802
1-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]sulfonylpyrrolidine
CID 126478456
1-(4-chlorophenyl)sulfonyl-4-methylsulfonyl-1,4-diazepane
CID 110799587
1-(4-chlorophenyl)sulfonyl-4-pyridin-3-ylsulfonylpiperazine
CID 154834810
4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 5013931
1-(2,6-dichlorophenyl)sulfonyl-4-(2,4-difluorophenyl)sulfonylpiperazine
CID 26947080
1-(4-chlorophenyl)sulfonyl-4-(2-nitrophenyl)sulfonylpiperazine
CID 1342939
(5-chloro-2-fluorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 27757766
1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(4-chlorophenyl)sulfonylpiperazine
CID 7108898
1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(4-chlorophenyl)sulfonylpiperazine
CID 11878975
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-chlorobenzenesulfonamide
CID 19684562

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-(2,6-dichlorophenyl)sulfonylpiperazine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-(2,6-dichlorophenyl)sulfonylpiperazine (CID 35934098) is 1-(4-chlorophenyl)sulfonyl-4-(2,6-dichlorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-4-(2,6-dichlorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-4-(2,6-dichlorophenyl)sulfonylpiperazine is O=S(=O)(c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-4-(2,6-dichlorophenyl)sulfonylpiperazine?
The InChIKey is WMRJHMREZGJQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl3N2O4S2/c17-12-4-6-13(7-5-12)26(22,23)20-8-10-21(11-9-20)27(24,25)16-14(18)2-1-3-15(16)19/h1-7H,8-11H2.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-4-(2,6-dichlorophenyl)sulfonylpiperazine?
1-(4-chlorophenyl)sulfonyl-4-(2,6-dichlorophenyl)sulfonylpiperazine has a molecular weight of 469.80 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-4-(2,6-dichlorophenyl)sulfonylpiperazine is sourced from PubChem (CID 35934098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).