1-(4-chloro-2-fluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine

C17H18ClFN2O4S2 — CID 55352164

IUPAC1-(4-chloro-2-fluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3F)CC2)cc1
InChIInChI=1S/C17H18ClFN2O4S2/c1-13-2-5-15(6-3-13)26(22,23)20-8-10-21(11-9-20)27(24,25)17-7-4-14(18)12-16(17)19/h2-7,12H,8-11H2,1H3
InChIKeyTZKGXDPJEKSQMX-UHFFFAOYSA-N
MW432.93 g/mol
LogP2.48
Rot. Bonds4

About 1-(4-chloro-2-fluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine

1-(4-chloro-2-fluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine (PubChem CID 55352164) has the molecular formula C17H18ClFN2O4S2 and a molecular weight of 432.93 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
PubChem CID55352164
Molecular FormulaC17H18ClFN2O4S2
Molecular Weight432.93 g/mol
Exact Mass432.04
IUPAC Name1-(4-chloro-2-fluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3F)CC2)cc1
InChIInChI=1S/C17H18ClFN2O4S2/c1-13-2-5-15(6-3-13)26(22,23)20-8-10-21(11-9-20)27(24,25)17-7-4-14(18)12-16(17)19/h2-7,12H,8-11H2,1H3
InChIKeyTZKGXDPJEKSQMX-UHFFFAOYSA-N
XLogP2.48
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.93
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-difluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 17377890
1-(4-chloro-2-fluorophenyl)sulfonylpiperidine
CID 60639529
1-(2-fluoro-5-methylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonyl-1,4-diazepane
CID 52588474
1-(2,4-dimethylphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 18097099
1-(3,4-difluorophenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 113081406
1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-ol
CID 43394316
1-(2,4-difluorophenyl)sulfonyl-4-(4-ethylphenyl)sulfonylpiperazine
CID 19684620
(2,4-dichlorophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 4807172
1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-4-carbaldehyde
CID 63844683
1-methyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 12035988
(3S,4R)-1-(4-chloro-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol
CID 79410117
1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonyl-1,4-diazepane
CID 38257109

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine (CID 55352164) is 1-(4-chloro-2-fluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine is Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3F)CC2)cc1.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine?
The InChIKey is TZKGXDPJEKSQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O4S2/c1-13-2-5-15(6-3-13)26(22,23)20-8-10-21(11-9-20)27(24,25)17-7-4-14(18)12-16(17)19/h2-7,12H,8-11H2,1H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine?
1-(4-chloro-2-fluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine has a molecular weight of 432.93 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 55352164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).