1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-(2-fluorophenyl)sulfonylpiperazine

C17H15ClF4N2O4S2 — CID 2546833

IUPAC1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-(2-fluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccccc1F)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1
InChIInChI=1S/C17H15ClF4N2O4S2/c18-13-6-5-12(17(20,21)22)11-16(13)30(27,28)24-9-7-23(8-10-24)29(25,26)15-4-2-1-3-14(15)19/h1-6,11H,7-10H2
InChIKeyGBMYWZONXAMIRH-UHFFFAOYSA-N
MW486.90 g/mol
LogP3.19
Rot. Bonds4

About 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-(2-fluorophenyl)sulfonylpiperazine

1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-(2-fluorophenyl)sulfonylpiperazine (PubChem CID 2546833) has the molecular formula C17H15ClF4N2O4S2 and a molecular weight of 486.90 g/mol. Its IUPAC name is 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-(2-fluorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-(2-fluorophenyl)sulfonylpiperazine
PubChem CID2546833
Molecular FormulaC17H15ClF4N2O4S2
Molecular Weight486.90 g/mol
Exact Mass486.01
IUPAC Name1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-(2-fluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccccc1F)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1
InChIInChI=1S/C17H15ClF4N2O4S2/c18-13-6-5-12(17(20,21)22)11-16(13)30(27,28)24-9-7-23(8-10-24)29(25,26)15-4-2-1-3-14(15)19/h1-6,11H,7-10H2
InChIKeyGBMYWZONXAMIRH-UHFFFAOYSA-N
XLogP3.19
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.90
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-fluorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 7510298
1-(2-Chloro-5-trifluoromethyl-benzenesulfonyl)-4-methyl-piperazine
CID 24746798
1-(2-Chlorophenyl)sulfonyl-4-[2-(2,4-difluorophenyl)ethyl]piperazine
CID 10157846
1-{[2-Chloro-5-(trifluoromethyl)phenyl]sulfonyl}piperidine
CID 801298
1-Chloro-2-[(4-methylpiperazinyl)sulfonyl]-4-(trifluoromethyl)benzene
CID 801304
1-(3,5-Dichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 2810135
1,4-Bis{[3-(trifluoromethyl)phenyl]sulfonyl}piperazine
CID 2942431
1,4-Bis[(4-chloro-3-methylphenyl)sulfonyl]piperazine
CID 3251014
1-[2-Chloro-5-(trifluoromethyl)benzenesulfonyl]piperazine
CID 2443157
N-[1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]benzenesulfonamide
CID 17393405
1-[2-Chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-methylpiperazine chloride
CID 53351945
4-(3-Chlorocyclohexa-2,5-dien-1-yl)-1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 174503521

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-(2-fluorophenyl)sulfonylpiperazine?
The IUPAC name of 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-(2-fluorophenyl)sulfonylpiperazine (CID 2546833) is 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-(2-fluorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-(2-fluorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-(2-fluorophenyl)sulfonylpiperazine is O=S(=O)(c1ccccc1F)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1.
What is the InChIKey of 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-(2-fluorophenyl)sulfonylpiperazine?
The InChIKey is GBMYWZONXAMIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF4N2O4S2/c18-13-6-5-12(17(20,21)22)11-16(13)30(27,28)24-9-7-23(8-10-24)29(25,26)15-4-2-1-3-14(15)19/h1-6,11H,7-10H2.
What are the key properties of 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-(2-fluorophenyl)sulfonylpiperazine?
1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-(2-fluorophenyl)sulfonylpiperazine has a molecular weight of 486.90 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-(2-fluorophenyl)sulfonylpiperazine is sourced from PubChem (CID 2546833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).