1-(2-ethyl-6-methylphenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazine

C20H25FN2O2S — CID 113076048

IUPAC1-(2-ethyl-6-methylphenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazine
SMILESCCc1cccc(C)c1N1CCN(S(=O)(=O)c2ccc(F)cc2C)CC1
InChIInChI=1S/C20H25FN2O2S/c1-4-17-7-5-6-15(2)20(17)22-10-12-23(13-11-22)26(24,25)19-9-8-18(21)14-16(19)3/h5-9,14H,4,10-13H2,1-3H3
InChIKeyHGGWYRUKQWQAER-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.52
Rot. Bonds4

About 1-(2-ethyl-6-methylphenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazine

1-(2-ethyl-6-methylphenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazine (PubChem CID 113076048) has the molecular formula C20H25FN2O2S and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-(2-ethyl-6-methylphenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2-ethyl-6-methylphenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazine
PubChem CID113076048
Molecular FormulaC20H25FN2O2S
Molecular Weight376.50 g/mol
Exact Mass376.16
IUPAC Name1-(2-ethyl-6-methylphenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazine
SMILESCCc1cccc(C)c1N1CCN(S(=O)(=O)c2ccc(F)cc2C)CC1
InChIInChI=1S/C20H25FN2O2S/c1-4-17-7-5-6-15(2)20(17)22-10-12-23(13-11-22)26(24,25)19-9-8-18(21)14-16(19)3/h5-9,14H,4,10-13H2,1-3H3
InChIKeyHGGWYRUKQWQAER-UHFFFAOYSA-N
XLogP3.52
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylphenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazine
CID 113075851
1,4-bis[(4-fluoro-2-methylphenyl)sulfonyl]-1,4-diazepane
CID 52559280
1-(4-fluoro-2-methylphenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine
CID 46633054
1-(2,6-dimethylphenyl)-4-(2-fluorophenyl)sulfonylpiperazine
CID 5012297
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-methylpyridazine
CID 122341372
3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine
CID 122334812
1-(4-fluoro-2-methylphenyl)sulfonyl-4-[2-(2-methylphenoxy)ethyl]piperazine
CID 110410093
1-(2,6-diethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 113076386
4-(4-fluoro-2-methylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide
CID 110811098
3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine
CID 122281734

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-6-methylphenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(2-ethyl-6-methylphenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazine (CID 113076048) is 1-(2-ethyl-6-methylphenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2-ethyl-6-methylphenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2-ethyl-6-methylphenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazine is CCc1cccc(C)c1N1CCN(S(=O)(=O)c2ccc(F)cc2C)CC1.
What is the InChIKey of 1-(2-ethyl-6-methylphenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazine?
The InChIKey is HGGWYRUKQWQAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2S/c1-4-17-7-5-6-15(2)20(17)22-10-12-23(13-11-22)26(24,25)19-9-8-18(21)14-16(19)3/h5-9,14H,4,10-13H2,1-3H3.
What are the key properties of 1-(2-ethyl-6-methylphenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazine?
1-(2-ethyl-6-methylphenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazine has a molecular weight of 376.50 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-6-methylphenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 113076048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).