2-(4-fluorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methylpiperazine

C20H25FN2O3S — CID 110418700

IUPAC2-(4-fluorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methylpiperazine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCN(C)C(c3ccc(F)cc3)C2)cc1C
InChIInChI=1S/C20H25FN2O3S/c1-14-12-20(15(2)11-19(14)26-4)27(24,25)23-10-9-22(3)18(13-23)16-5-7-17(21)8-6-16/h5-8,11-12,18H,9-10,13H2,1-4H3
InChIKeyPFJCVLIVPFHEOV-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.13
Rot. Bonds4

About 2-(4-fluorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methylpiperazine

2-(4-fluorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methylpiperazine (PubChem CID 110418700) has the molecular formula C20H25FN2O3S and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methylpiperazine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methylpiperazine
PubChem CID110418700
Molecular FormulaC20H25FN2O3S
Molecular Weight392.50 g/mol
Exact Mass392.16
IUPAC Name2-(4-fluorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methylpiperazine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCN(C)C(c3ccc(F)cc3)C2)cc1C
InChIInChI=1S/C20H25FN2O3S/c1-14-12-20(15(2)11-19(14)26-4)27(24,25)23-10-9-22(3)18(13-23)16-5-7-17(21)8-6-16/h5-8,11-12,18H,9-10,13H2,1-4H3
InChIKeyPFJCVLIVPFHEOV-UHFFFAOYSA-N
XLogP3.13
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 110418562
4-(3-chloro-4-methoxyphenyl)sulfonyl-2-(4-fluorophenyl)-1-methylpiperazine
CID 110602947
4-(2-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-1-methylpiperazine
CID 110418724
(2S)-4-(benzenesulfonyl)-2-(4-fluorophenyl)-1-methylpiperazine
CID 94915318
(2S)-4-(4-fluoro-3-methylphenyl)sulfonyl-2-(4-methoxyphenyl)-1-methylpiperazine
CID 98750168
2-(4-fluorophenyl)-4-(2-methoxyethylsulfonyl)-1-methylpiperazine
CID 110617346
4-(4-fluorophenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 53189132
(2R)-4-(4-fluorophenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 129418750
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 6464219
(2R)-2-(4-fluorophenyl)-1-methyl-4-(trifluoromethylsulfonyl)piperazine
CID 145285160
4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methylpiperazin-2-one
CID 110708150
1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-3-methylpiperidine
CID 3144185

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methylpiperazine?
The IUPAC name of 2-(4-fluorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methylpiperazine (CID 110418700) is 2-(4-fluorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methylpiperazine.
What is the SMILES notation for 2-(4-fluorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methylpiperazine?
The canonical SMILES for 2-(4-fluorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methylpiperazine is COc1cc(C)c(S(=O)(=O)N2CCN(C)C(c3ccc(F)cc3)C2)cc1C.
What is the InChIKey of 2-(4-fluorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methylpiperazine?
The InChIKey is PFJCVLIVPFHEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3S/c1-14-12-20(15(2)11-19(14)26-4)27(24,25)23-10-9-22(3)18(13-23)16-5-7-17(21)8-6-16/h5-8,11-12,18H,9-10,13H2,1-4H3.
What are the key properties of 2-(4-fluorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methylpiperazine?
2-(4-fluorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methylpiperazine has a molecular weight of 392.50 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methylpiperazine is sourced from PubChem (CID 110418700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).