4-(5-fluoro-2-methylphenyl)sulfonyl-1-(4-methoxyphenyl)-2-methylpiperazine

C19H23FN2O3S — CID 3754185

IUPAC4-(5-fluoro-2-methylphenyl)sulfonyl-1-(4-methoxyphenyl)-2-methylpiperazine
SMILESCOc1ccc(N2CCN(S(=O)(=O)c3cc(F)ccc3C)CC2C)cc1
InChIInChI=1S/C19H23FN2O3S/c1-14-4-5-16(20)12-19(14)26(23,24)21-10-11-22(15(2)13-21)17-6-8-18(25-3)9-7-17/h4-9,12,15H,10-11,13H2,1-3H3
InChIKeyPFVNHYUGGBUMCV-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.04
Rot. Bonds4

About 4-(5-fluoro-2-methylphenyl)sulfonyl-1-(4-methoxyphenyl)-2-methylpiperazine

4-(5-fluoro-2-methylphenyl)sulfonyl-1-(4-methoxyphenyl)-2-methylpiperazine (PubChem CID 3754185) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is 4-(5-fluoro-2-methylphenyl)sulfonyl-1-(4-methoxyphenyl)-2-methylpiperazine.

Molecular Properties

Compound Name4-(5-fluoro-2-methylphenyl)sulfonyl-1-(4-methoxyphenyl)-2-methylpiperazine
PubChem CID3754185
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC Name4-(5-fluoro-2-methylphenyl)sulfonyl-1-(4-methoxyphenyl)-2-methylpiperazine
SMILESCOc1ccc(N2CCN(S(=O)(=O)c3cc(F)ccc3C)CC2C)cc1
InChIInChI=1S/C19H23FN2O3S/c1-14-4-5-16(20)12-19(14)26(23,24)21-10-11-22(15(2)13-21)17-6-8-18(25-3)9-7-17/h4-9,12,15H,10-11,13H2,1-3H3
InChIKeyPFVNHYUGGBUMCV-UHFFFAOYSA-N
XLogP3.04
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(5-fluoro-2-methylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
CID 3754471
4-(4-iodophenyl)sulfonyl-1-(4-methoxyphenyl)-2-methylpiperazine
CID 5167462
(3S,4R)-1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidine-3,4-diol
CID 79410588
1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 55130963
1-(5-fluoro-2-methylphenyl)sulfonyl-4-methylpiperidine
CID 145499915
4-(3,4-dimethylphenyl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine
CID 19682975
4-(5-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 46452449
(3S,4S)-4-(dimethylamino)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-ol
CID 131919037
[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62371177
4-(2-fluorophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine
CID 23741901
methyl (3S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 79031942
1-(3,4-dichlorophenyl)-4-(5-fluoro-2-methylphenyl)sulfonylpiperazine
CID 3456966

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methylphenyl)sulfonyl-1-(4-methoxyphenyl)-2-methylpiperazine?
The IUPAC name of 4-(5-fluoro-2-methylphenyl)sulfonyl-1-(4-methoxyphenyl)-2-methylpiperazine (CID 3754185) is 4-(5-fluoro-2-methylphenyl)sulfonyl-1-(4-methoxyphenyl)-2-methylpiperazine.
What is the SMILES notation for 4-(5-fluoro-2-methylphenyl)sulfonyl-1-(4-methoxyphenyl)-2-methylpiperazine?
The canonical SMILES for 4-(5-fluoro-2-methylphenyl)sulfonyl-1-(4-methoxyphenyl)-2-methylpiperazine is COc1ccc(N2CCN(S(=O)(=O)c3cc(F)ccc3C)CC2C)cc1.
What is the InChIKey of 4-(5-fluoro-2-methylphenyl)sulfonyl-1-(4-methoxyphenyl)-2-methylpiperazine?
The InChIKey is PFVNHYUGGBUMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-14-4-5-16(20)12-19(14)26(23,24)21-10-11-22(15(2)13-21)17-6-8-18(25-3)9-7-17/h4-9,12,15H,10-11,13H2,1-3H3.
What are the key properties of 4-(5-fluoro-2-methylphenyl)sulfonyl-1-(4-methoxyphenyl)-2-methylpiperazine?
4-(5-fluoro-2-methylphenyl)sulfonyl-1-(4-methoxyphenyl)-2-methylpiperazine has a molecular weight of 378.47 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methylphenyl)sulfonyl-1-(4-methoxyphenyl)-2-methylpiperazine is sourced from PubChem (CID 3754185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).