1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine

C17H15ClF4N2O4S2 — CID 2530216

IUPAC1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1cccc(F)c1)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1
InChIInChI=1S/C17H15ClF4N2O4S2/c18-15-5-4-12(17(20,21)22)10-16(15)30(27,28)24-8-6-23(7-9-24)29(25,26)14-3-1-2-13(19)11-14/h1-5,10-11H,6-9H2
InChIKeyRUROQQOYEAXUPS-UHFFFAOYSA-N
MW486.90 g/mol
LogP3.19
Rot. Bonds4

About 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine

1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine (PubChem CID 2530216) 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-(3-fluorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine
PubChem CID2530216
Molecular FormulaC17H15ClF4N2O4S2
Molecular Weight486.90 g/mol
Exact Mass486.01
IUPAC Name1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1cccc(F)c1)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1
InChIInChI=1S/C17H15ClF4N2O4S2/c18-15-5-4-12(17(20,21)22)10-16(15)30(27,28)24-8-6-23(7-9-24)29(25,26)14-3-1-2-13(19)11-14/h1-5,10-11H,6-9H2
InChIKeyRUROQQOYEAXUPS-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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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine?
The IUPAC name of 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine (CID 2530216) is 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine is O=S(=O)(c1cccc(F)c1)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1.
What is the InChIKey of 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine?
The InChIKey is RUROQQOYEAXUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF4N2O4S2/c18-15-5-4-12(17(20,21)22)10-16(15)30(27,28)24-8-6-23(7-9-24)29(25,26)14-3-1-2-13(19)11-14/h1-5,10-11H,6-9H2.
What are the key properties of 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine?
1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-(3-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-(3-fluorophenyl)sulfonylpiperazine is sourced from PubChem (CID 2530216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).