1-(2-fluorophenyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine

C19H23FN2O3S — CID 113076622

IUPAC1-(2-fluorophenyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C19H23FN2O3S/c1-15(2)25-16-7-9-17(10-8-16)26(23,24)22-13-11-21(12-14-22)19-6-4-3-5-18(19)20/h3-10,15H,11-14H2,1-2H3
InChIKeyGWGMXCGDNGLILF-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.12
Rot. Bonds5

About 1-(2-fluorophenyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine

1-(2-fluorophenyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine (PubChem CID 113076622) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine
PubChem CID113076622
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC Name1-(2-fluorophenyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C19H23FN2O3S/c1-15(2)25-16-7-9-17(10-8-16)26(23,24)22-13-11-21(12-14-22)19-6-4-3-5-18(19)20/h3-10,15H,11-14H2,1-2H3
InChIKeyGWGMXCGDNGLILF-UHFFFAOYSA-N
XLogP3.12
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-fluorophenyl)methyl]-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine
CID 113074094
1-(2-chloro-3-pyridinyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine
CID 59232278
1-(6-ethoxynaphthalen-2-yl)sulfonyl-4-(2-fluorophenyl)piperazine
CID 1041679
1-(2-fluorophenyl)-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine
CID 1334438
1-benzhydryl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine
CID 5260685
1-(4-fluorophenyl)sulfonyl-4-(2-methylsulfanylphenyl)piperazine
CID 3756255
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 2664177
1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-(2-fluorophenyl)piperazine
CID 26946811
1-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-(2-fluorophenyl)piperazine
CID 3185234
(4S)-4-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one
CID 42558865
1-(benzenesulfonyl)-4-(2-propan-2-ylphenyl)piperazine
CID 113076137
N,N-dimethyl-2-[4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]ethanamine
CID 113073649

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine?
The IUPAC name of 1-(2-fluorophenyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine (CID 113076622) is 1-(2-fluorophenyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2-fluorophenyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2-fluorophenyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine is CC(C)Oc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1.
What is the InChIKey of 1-(2-fluorophenyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine?
The InChIKey is GWGMXCGDNGLILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-15(2)25-16-7-9-17(10-8-16)26(23,24)22-13-11-21(12-14-22)19-6-4-3-5-18(19)20/h3-10,15H,11-14H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine?
1-(2-fluorophenyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine has a molecular weight of 378.47 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine is sourced from PubChem (CID 113076622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).