1-(4-fluoro-2-pyridin-4-ylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine

C23H24FN3O3S — CID 118676065

IUPAC1-(4-fluoro-2-pyridin-4-ylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(S(=O)(=O)c3ccc(F)cc3-c3ccncc3)CC2)cc1
InChIInChI=1S/C23H24FN3O3S/c1-30-21-5-2-18(3-6-21)17-26-12-14-27(15-13-26)31(28,29)23-7-4-20(24)16-22(23)19-8-10-25-11-9-19/h2-11,16H,12-15,17H2,1H3
InChIKeyZXNBVAAHEXHMOP-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.40
Rot. Bonds6

About 1-(4-fluoro-2-pyridin-4-ylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine

1-(4-fluoro-2-pyridin-4-ylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine (PubChem CID 118676065) has the molecular formula C23H24FN3O3S and a molecular weight of 441.53 g/mol. Its IUPAC name is 1-(4-fluoro-2-pyridin-4-ylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(4-fluoro-2-pyridin-4-ylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
PubChem CID118676065
Molecular FormulaC23H24FN3O3S
Molecular Weight441.53 g/mol
Exact Mass441.15
IUPAC Name1-(4-fluoro-2-pyridin-4-ylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(S(=O)(=O)c3ccc(F)cc3-c3ccncc3)CC2)cc1
InChIInChI=1S/C23H24FN3O3S/c1-30-21-5-2-18(3-6-21)17-26-12-14-27(15-13-26)31(28,29)23-7-4-20(24)16-22(23)19-8-10-25-11-9-19/h2-11,16H,12-15,17H2,1H3
InChIKeyZXNBVAAHEXHMOP-UHFFFAOYSA-N
XLogP3.40
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-pyridin-4-ylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-(4-fluoro-2-pyridin-4-ylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine (CID 118676065) is 1-(4-fluoro-2-pyridin-4-ylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-(4-fluoro-2-pyridin-4-ylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-(4-fluoro-2-pyridin-4-ylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine is COc1ccc(CN2CCN(S(=O)(=O)c3ccc(F)cc3-c3ccncc3)CC2)cc1.
What is the InChIKey of 1-(4-fluoro-2-pyridin-4-ylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine?
The InChIKey is ZXNBVAAHEXHMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3S/c1-30-21-5-2-18(3-6-21)17-26-12-14-27(15-13-26)31(28,29)23-7-4-20(24)16-22(23)19-8-10-25-11-9-19/h2-11,16H,12-15,17H2,1H3.
What are the key properties of 1-(4-fluoro-2-pyridin-4-ylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine?
1-(4-fluoro-2-pyridin-4-ylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine has a molecular weight of 441.53 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-pyridin-4-ylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 118676065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).