1-(3-fluoro-4-methoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine

C17H18F2N2O3S — CID 120764715

IUPAC1-(3-fluoro-4-methoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine
SMILESCOc1ccc(S(=O)(=O)N2CCNCC2c2cccc(F)c2)cc1F
InChIInChI=1S/C17H18F2N2O3S/c1-24-17-6-5-14(10-15(17)19)25(22,23)21-8-7-20-11-16(21)12-3-2-4-13(18)9-12/h2-6,9-10,16,20H,7-8,11H2,1H3
InChIKeyIYFDHHKCWUWUOY-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.31
Rot. Bonds4

About 1-(3-fluoro-4-methoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine

1-(3-fluoro-4-methoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine (PubChem CID 120764715) has the molecular formula C17H18F2N2O3S and a molecular weight of 368.41 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine
PubChem CID120764715
Molecular FormulaC17H18F2N2O3S
Molecular Weight368.41 g/mol
Exact Mass368.10
IUPAC Name1-(3-fluoro-4-methoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine
SMILESCOc1ccc(S(=O)(=O)N2CCNCC2c2cccc(F)c2)cc1F
InChIInChI=1S/C17H18F2N2O3S/c1-24-17-6-5-14(10-15(17)19)25(22,23)21-8-7-20-11-16(21)12-3-2-4-13(18)9-12/h2-6,9-10,16,20H,7-8,11H2,1H3
InChIKeyIYFDHHKCWUWUOY-UHFFFAOYSA-N
XLogP2.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dimethoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine
CID 120764422
4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-N,N-dimethylaniline;hydrochloride
CID 120764419
2-(3-fluorophenyl)-1-(3-methyl-4-nitrophenyl)sulfonylpiperazine
CID 120764749
4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-3-methoxybenzonitrile
CID 120876754
N-[4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylphenyl]acetamide;hydrochloride
CID 120764702
1-(3-fluoro-4-methoxyphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894875
methyl 2-fluoro-6-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylbenzoate
CID 120764903
1-(3-chloro-4-methoxyphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120764094
1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763589
2-(3-fluorophenyl)-1-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonylpiperazine
CID 120764617
2-(3-fluorophenyl)-1-(2-nitrophenyl)sulfonylpiperazine;hydrochloride
CID 120764840
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(3-fluorophenyl)piperazine
CID 120764645

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine (CID 120764715) is 1-(3-fluoro-4-methoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine is COc1ccc(S(=O)(=O)N2CCNCC2c2cccc(F)c2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine?
The InChIKey is IYFDHHKCWUWUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3S/c1-24-17-6-5-14(10-15(17)19)25(22,23)21-8-7-20-11-16(21)12-3-2-4-13(18)9-12/h2-6,9-10,16,20H,7-8,11H2,1H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine?
1-(3-fluoro-4-methoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine has a molecular weight of 368.41 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine is sourced from PubChem (CID 120764715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).