4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methyl-2-phenylpiperazine

C20H26N2O3S — CID 110418562

IUPAC4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methyl-2-phenylpiperazine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCN(C)C(c3ccccc3)C2)cc1C
InChIInChI=1S/C20H26N2O3S/c1-15-13-20(16(2)12-19(15)25-4)26(23,24)22-11-10-21(3)18(14-22)17-8-6-5-7-9-17/h5-9,12-13,18H,10-11,14H2,1-4H3
InChIKeyMXZGRVNXZVAQFP-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.99
Rot. Bonds4

About 4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methyl-2-phenylpiperazine

4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methyl-2-phenylpiperazine (PubChem CID 110418562) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methyl-2-phenylpiperazine.

Molecular Properties

Compound Name4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methyl-2-phenylpiperazine
PubChem CID110418562
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methyl-2-phenylpiperazine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCN(C)C(c3ccccc3)C2)cc1C
InChIInChI=1S/C20H26N2O3S/c1-15-13-20(16(2)12-19(15)25-4)26(23,24)22-11-10-21(3)18(14-22)17-8-6-5-7-9-17/h5-9,12-13,18H,10-11,14H2,1-4H3
InChIKeyMXZGRVNXZVAQFP-UHFFFAOYSA-N
XLogP2.99
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methylpiperazine
CID 110418700
(2S)-4-(4-methoxyphenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 94915313
4-(2-methoxy-5-methylphenyl)sulfonyl-2-(3-methoxyphenyl)-1-methylpiperazine
CID 110293341
1-methyl-4-methylsulfonyl-2-phenylpiperazine
CID 112511935
4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methylpiperazin-2-one
CID 110708150
1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-3-methylpiperidine
CID 3144185
1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine
CID 801464
1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidin-3-amine
CID 119959644
[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 119972005
4-(4-fluorophenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 53189132
1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2,3,4-trimethylpiperazine
CID 75440515
(2R)-4-(4-fluorophenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 129418750

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methyl-2-phenylpiperazine?
The IUPAC name of 4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methyl-2-phenylpiperazine (CID 110418562) is 4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methyl-2-phenylpiperazine.
What is the SMILES notation for 4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methyl-2-phenylpiperazine?
The canonical SMILES for 4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methyl-2-phenylpiperazine is COc1cc(C)c(S(=O)(=O)N2CCN(C)C(c3ccccc3)C2)cc1C.
What is the InChIKey of 4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methyl-2-phenylpiperazine?
The InChIKey is MXZGRVNXZVAQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-15-13-20(16(2)12-19(15)25-4)26(23,24)22-11-10-21(3)18(14-22)17-8-6-5-7-9-17/h5-9,12-13,18H,10-11,14H2,1-4H3.
What are the key properties of 4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methyl-2-phenylpiperazine?
4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methyl-2-phenylpiperazine has a molecular weight of 374.51 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methyl-2-phenylpiperazine is sourced from PubChem (CID 110418562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).