1-(4-methoxyphenyl)-4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methyl]piperazine

C23H27N3O3S — CID 3829632

IUPAC1-(4-methoxyphenyl)-4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methyl]piperazine
SMILESCOc1ccc(N2CCN(Cc3cccn3S(=O)(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C23H27N3O3S/c1-19-5-11-23(12-6-19)30(27,28)26-13-3-4-21(26)18-24-14-16-25(17-15-24)20-7-9-22(29-2)10-8-20/h3-13H,14-18H2,1-2H3
InChIKeyFIOVASDYDDGMJI-UHFFFAOYSA-N
MW425.55 g/mol
LogP3.36
Rot. Bonds6

About 1-(4-methoxyphenyl)-4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methyl]piperazine

1-(4-methoxyphenyl)-4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methyl]piperazine (PubChem CID 3829632) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methyl]piperazine
PubChem CID3829632
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC Name1-(4-methoxyphenyl)-4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methyl]piperazine
SMILESCOc1ccc(N2CCN(Cc3cccn3S(=O)(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C23H27N3O3S/c1-19-5-11-23(12-6-19)30(27,28)26-13-3-4-21(26)18-24-14-16-25(17-15-24)20-7-9-22(29-2)10-8-20/h3-13H,14-18H2,1-2H3
InChIKeyFIOVASDYDDGMJI-UHFFFAOYSA-N
XLogP3.36
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(4-methoxyphenyl)-4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 798545
1-(4-methoxyphenyl)-4-[[2-(4-methylphenyl)sulfonyl-3-pyridinyl]methyl]piperazine
CID 71700723
1-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine
CID 1168311
1-(4-methoxyphenyl)-4-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]piperazine
CID 10618724
1-(4-ethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1306330
2-[(4-methoxyphenyl)-phenylmethyl]-1-(4-methylphenyl)sulfonylpyrrole
CID 102155159
2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]acetaldehyde
CID 89416848
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenyl)sulfonylpropan-1-one
CID 4101950
1-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1160819
N-(3-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4-methylbenzenesulfonamide
CID 28589854
1-(4-methoxyphenyl)-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]imidazole-2-thione
CID 46809611
5-methoxy-1-(4-methylphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 10024749

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methyl]piperazine?
The IUPAC name of 1-(4-methoxyphenyl)-4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methyl]piperazine (CID 3829632) is 1-(4-methoxyphenyl)-4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methyl]piperazine.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methyl]piperazine?
The canonical SMILES for 1-(4-methoxyphenyl)-4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methyl]piperazine is COc1ccc(N2CCN(Cc3cccn3S(=O)(=O)c3ccc(C)cc3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methyl]piperazine?
The InChIKey is FIOVASDYDDGMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-19-5-11-23(12-6-19)30(27,28)26-13-3-4-21(26)18-24-14-16-25(17-15-24)20-7-9-22(29-2)10-8-20/h3-13H,14-18H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methyl]piperazine?
1-(4-methoxyphenyl)-4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methyl]piperazine has a molecular weight of 425.55 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methyl]piperazine is sourced from PubChem (CID 3829632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).