(5-chloro-2-fluorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone

C17H14Cl3FN2O3S — CID 27757766

IUPAC(5-chloro-2-fluorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1cc(Cl)ccc1F)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C17H14Cl3FN2O3S/c18-11-4-5-15(21)12(10-11)17(24)22-6-8-23(9-7-22)27(25,26)16-13(19)2-1-3-14(16)20/h1-5,10H,6-9H2
InChIKeyAVXDTAKOWZLRCP-UHFFFAOYSA-N
MW451.73 g/mol
LogP3.93
Rot. Bonds3

About (5-chloro-2-fluorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone

(5-chloro-2-fluorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 27757766) has the molecular formula C17H14Cl3FN2O3S and a molecular weight of 451.73 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID27757766
Molecular FormulaC17H14Cl3FN2O3S
Molecular Weight451.73 g/mol
Exact Mass449.98
IUPAC Name(5-chloro-2-fluorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1cc(Cl)ccc1F)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C17H14Cl3FN2O3S/c18-11-4-5-15(21)12(10-11)17(24)22-6-8-23(9-7-22)27(25,26)16-13(19)2-1-3-14(16)20/h1-5,10H,6-9H2
InChIKeyAVXDTAKOWZLRCP-UHFFFAOYSA-N
XLogP3.93
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.73
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-chloro-2-fluorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone with MolForge

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Related Compounds

(3-chlorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 26181358
(5-chloro-2-fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 47136662
(4-chlorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 26181355
(5-chloro-2-fluorophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 9086144
(2-bromo-4-fluorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 26312772
azepan-1-yl-(5-chloro-2-fluorophenyl)methanone
CID 60675642
[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-(2-nitrophenyl)methanone
CID 27757654
[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 108533710
(5-chloro-2-fluorophenyl)-piperazin-1-ylmethanone
CID 16769233
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone
CID 108536557
[4-(5-chloro-2-fluorobenzoyl)-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 78850151
[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-(2,3-dichlorophenyl)methanone
CID 27562409

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (5-chloro-2-fluorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone (CID 27757766) is (5-chloro-2-fluorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (5-chloro-2-fluorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone is O=C(c1cc(Cl)ccc1F)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of (5-chloro-2-fluorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is AVXDTAKOWZLRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl3FN2O3S/c18-11-4-5-15(21)12(10-11)17(24)22-6-8-23(9-7-22)27(25,26)16-13(19)2-1-3-14(16)20/h1-5,10H,6-9H2.
What are the key properties of (5-chloro-2-fluorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone?
(5-chloro-2-fluorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 451.73 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 27757766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).