1-(2-ethylphenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazine

C19H23FN2O2S — CID 113075851

IUPAC1-(2-ethylphenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazine
SMILESCCc1ccccc1N1CCN(S(=O)(=O)c2ccc(F)cc2C)CC1
InChIInChI=1S/C19H23FN2O2S/c1-3-16-6-4-5-7-18(16)21-10-12-22(13-11-21)25(23,24)19-9-8-17(20)14-15(19)2/h4-9,14H,3,10-13H2,1-2H3
InChIKeyAHURGFCXIZTANR-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.21
Rot. Bonds4

About 1-(2-ethylphenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazine

1-(2-ethylphenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazine (PubChem CID 113075851) has the molecular formula C19H23FN2O2S and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2-ethylphenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazine
PubChem CID113075851
Molecular FormulaC19H23FN2O2S
Molecular Weight362.47 g/mol
Exact Mass362.15
IUPAC Name1-(2-ethylphenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazine
SMILESCCc1ccccc1N1CCN(S(=O)(=O)c2ccc(F)cc2C)CC1
InChIInChI=1S/C19H23FN2O2S/c1-3-16-6-4-5-7-18(16)21-10-12-22(13-11-21)25(23,24)19-9-8-17(20)14-15(19)2/h4-9,14H,3,10-13H2,1-2H3
InChIKeyAHURGFCXIZTANR-UHFFFAOYSA-N
XLogP3.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethyl-6-methylphenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazine
CID 113076048
1,4-bis[(4-fluoro-2-methylphenyl)sulfonyl]-1,4-diazepane
CID 52559280
1-(2-ethylphenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
CID 91669823
1-(2,4-dimethylphenyl)sulfonyl-4-(2-methylphenyl)piperazine
CID 6465958
1-(4-fluoro-2-methylphenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine
CID 46633054
1-(4-fluoro-2-methoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1085530
1-(4-fluoro-2-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine
CID 113072902
1-(4-fluoro-2-methylphenyl)sulfonyl-4,4-dimethylpiperidine
CID 110738659
3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine
CID 122334812
3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 122341372
1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 113077346
1-(4-fluoro-2-methylphenyl)sulfonyl-4-[2-(2-methylphenoxy)ethyl]piperazine
CID 110410093

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(2-ethylphenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazine (CID 113075851) is 1-(2-ethylphenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2-ethylphenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2-ethylphenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazine is CCc1ccccc1N1CCN(S(=O)(=O)c2ccc(F)cc2C)CC1.
What is the InChIKey of 1-(2-ethylphenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazine?
The InChIKey is AHURGFCXIZTANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2S/c1-3-16-6-4-5-7-18(16)21-10-12-22(13-11-21)25(23,24)19-9-8-17(20)14-15(19)2/h4-9,14H,3,10-13H2,1-2H3.
What are the key properties of 1-(2-ethylphenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazine?
1-(2-ethylphenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazine has a molecular weight of 362.47 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 113075851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).