1-methyl-4-[4-(2-methylphenoxy)phenyl]sulfonylpiperazine

C18H22N2O3S — CID 889905

IUPAC1-methyl-4-[4-(2-methylphenoxy)phenyl]sulfonylpiperazine
SMILESCc1ccccc1Oc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C18H22N2O3S/c1-15-5-3-4-6-18(15)23-16-7-9-17(10-8-16)24(21,22)20-13-11-19(2)12-14-20/h3-10H,11-14H2,1-2H3
InChIKeyZVFOWOWUUDDIGJ-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.72
Rot. Bonds4

About 1-methyl-4-[4-(2-methylphenoxy)phenyl]sulfonylpiperazine

1-methyl-4-[4-(2-methylphenoxy)phenyl]sulfonylpiperazine (PubChem CID 889905) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 1-methyl-4-[4-(2-methylphenoxy)phenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-methyl-4-[4-(2-methylphenoxy)phenyl]sulfonylpiperazine
PubChem CID889905
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name1-methyl-4-[4-(2-methylphenoxy)phenyl]sulfonylpiperazine
SMILESCc1ccccc1Oc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C18H22N2O3S/c1-15-5-3-4-6-18(15)23-16-7-9-17(10-8-16)24(21,22)20-13-11-19(2)12-14-20/h3-10H,11-14H2,1-2H3
InChIKeyZVFOWOWUUDDIGJ-UHFFFAOYSA-N
XLogP2.72
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-Methoxyphenyl)sulfonyl]-4-methylpiperazine
CID 676048
1,4-Bis[(4-methoxyphenyl)sulfonyl]piperazine
CID 1104493
1-(2,6-Difluorophenyl)sulfonyl-4-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonyl]piperazine
CID 25243722
1-Ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240
N,N-diethyl-4-phenoxybenzenesulfonamide
CID 802736
4-Methyl-1-[(4-propoxynaphthyl)sulfonyl]piperazine
CID 9267437
1-(3-Methoxybenzyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine
CID 1131760
1-Ethyl-4-((4-(2-methoxyphenoxy)phenyl)sulfonyl)piperazine
CID 1190535
1-Benzyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 660773
1-[(4-Methoxy-3-methylphenyl)sulfonyl]-4-methylpiperazine
CID 847009
4-[4-(diethylsulfamoyl)phenoxy]-N,N-diethylbenzenesulfonamide
CID 1099239
(E)-1-(4-methoxyphenylsulfonyl)-4-phenyl-2,3,6,7-tetrahydro-1H-azepine
CID 25193005

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(2-methylphenoxy)phenyl]sulfonylpiperazine?
The IUPAC name of 1-methyl-4-[4-(2-methylphenoxy)phenyl]sulfonylpiperazine (CID 889905) is 1-methyl-4-[4-(2-methylphenoxy)phenyl]sulfonylpiperazine.
What is the SMILES notation for 1-methyl-4-[4-(2-methylphenoxy)phenyl]sulfonylpiperazine?
The canonical SMILES for 1-methyl-4-[4-(2-methylphenoxy)phenyl]sulfonylpiperazine is Cc1ccccc1Oc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of 1-methyl-4-[4-(2-methylphenoxy)phenyl]sulfonylpiperazine?
The InChIKey is ZVFOWOWUUDDIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-15-5-3-4-6-18(15)23-16-7-9-17(10-8-16)24(21,22)20-13-11-19(2)12-14-20/h3-10H,11-14H2,1-2H3.
What are the key properties of 1-methyl-4-[4-(2-methylphenoxy)phenyl]sulfonylpiperazine?
1-methyl-4-[4-(2-methylphenoxy)phenyl]sulfonylpiperazine has a molecular weight of 346.45 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(2-methylphenoxy)phenyl]sulfonylpiperazine is sourced from PubChem (CID 889905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).