1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine

C17H18ClFN2O3S — CID 2280662

IUPAC1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H18ClFN2O3S/c1-24-16-7-2-13(18)12-17(16)25(22,23)21-10-8-20(9-11-21)15-5-3-14(19)4-6-15/h2-7,12H,8-11H2,1H3
InChIKeyHQTSFMFVFZBTAB-UHFFFAOYSA-N
MW384.86 g/mol
LogP3.00
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine

1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine (PubChem CID 2280662) has the molecular formula C17H18ClFN2O3S and a molecular weight of 384.86 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
PubChem CID2280662
Molecular FormulaC17H18ClFN2O3S
Molecular Weight384.86 g/mol
Exact Mass384.07
IUPAC Name1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H18ClFN2O3S/c1-24-16-7-2-13(18)12-17(16)25(22,23)21-10-8-20(9-11-21)15-5-3-14(19)4-6-15/h2-7,12H,8-11H2,1H3
InChIKeyHQTSFMFVFZBTAB-UHFFFAOYSA-N
XLogP3.00
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine (CID 2280662) is 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine is COc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine?
The InChIKey is HQTSFMFVFZBTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O3S/c1-24-16-7-2-13(18)12-17(16)25(22,23)21-10-8-20(9-11-21)15-5-3-14(19)4-6-15/h2-7,12H,8-11H2,1H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine?
1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine has a molecular weight of 384.86 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine is sourced from PubChem (CID 2280662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).