2-[4-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethylpyrrol-3-yl]-5-methyl-1,3,4-oxadiazole

C20H24ClN5O3S — CID 53154887

IUPAC2-[4-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethylpyrrol-3-yl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2c(S(=O)(=O)N3CCN(c4ccccc4Cl)CC3)c(C)n(C)c2C)o1
InChIInChI=1S/C20H24ClN5O3S/c1-13-18(20-23-22-15(3)29-20)19(14(2)24(13)4)30(27,28)26-11-9-25(10-12-26)17-8-6-5-7-16(17)21/h5-8H,9-12H2,1-4H3
InChIKeyWHIOPDVTUMDKIM-UHFFFAOYSA-N
MW449.96 g/mol
LogP3.16
Rot. Bonds4

About 2-[4-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethylpyrrol-3-yl]-5-methyl-1,3,4-oxadiazole

2-[4-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethylpyrrol-3-yl]-5-methyl-1,3,4-oxadiazole (PubChem CID 53154887) has the molecular formula C20H24ClN5O3S and a molecular weight of 449.96 g/mol. Its IUPAC name is 2-[4-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethylpyrrol-3-yl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethylpyrrol-3-yl]-5-methyl-1,3,4-oxadiazole
PubChem CID53154887
Molecular FormulaC20H24ClN5O3S
Molecular Weight449.96 g/mol
Exact Mass449.13
IUPAC Name2-[4-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethylpyrrol-3-yl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2c(S(=O)(=O)N3CCN(c4ccccc4Cl)CC3)c(C)n(C)c2C)o1
InChIInChI=1S/C20H24ClN5O3S/c1-13-18(20-23-22-15(3)29-20)19(14(2)24(13)4)30(27,28)26-11-9-25(10-12-26)17-8-6-5-7-16(17)21/h5-8H,9-12H2,1-4H3
InChIKeyWHIOPDVTUMDKIM-UHFFFAOYSA-N
XLogP3.16
TPSA84.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.96
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethylpyrrol-3-yl]-5-methyl-1,3,4-oxadiazole 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

2-methyl-5-[5-[4-(2-methylphenyl)piperazin-1-yl]sulfonylfuran-2-yl]-1,3,4-oxadiazole
CID 53175447
N-(1-benzylpiperidin-4-yl)-1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrole-3-sulfonamide
CID 53154860
2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylfuran-3-yl]-5-methyl-1,3,4-oxadiazole
CID 53175750
N-(4-bromophenyl)-1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrole-3-sulfonamide
CID 53154813
1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(2-chlorophenyl)piperazine
CID 35326952
1-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 51182519
1-(2-chlorophenyl)-4-propan-2-ylsulfonylpiperazine
CID 23853829
1-(2,6-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 4089180
1-(4-bromo-3-methylphenyl)sulfonyl-4-(2-chlorophenyl)piperazine
CID 26947991
1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyrrole-3-sulfonamide
CID 53154873
1-(2-chlorophenyl)-4-(1H-pyrazol-4-ylsulfonyl)piperazine
CID 60916370
2-(2-chlorophenyl)-5-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-1,3,4-oxadiazole
CID 112813640

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethylpyrrol-3-yl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[4-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethylpyrrol-3-yl]-5-methyl-1,3,4-oxadiazole (CID 53154887) is 2-[4-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethylpyrrol-3-yl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethylpyrrol-3-yl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethylpyrrol-3-yl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(-c2c(S(=O)(=O)N3CCN(c4ccccc4Cl)CC3)c(C)n(C)c2C)o1.
What is the InChIKey of 2-[4-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethylpyrrol-3-yl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is WHIOPDVTUMDKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O3S/c1-13-18(20-23-22-15(3)29-20)19(14(2)24(13)4)30(27,28)26-11-9-25(10-12-26)17-8-6-5-7-16(17)21/h5-8H,9-12H2,1-4H3.
What are the key properties of 2-[4-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethylpyrrol-3-yl]-5-methyl-1,3,4-oxadiazole?
2-[4-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethylpyrrol-3-yl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 449.96 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethylpyrrol-3-yl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 53154887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).