4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole

C21H22ClN3O2S2 — CID 22197125

IUPAC4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole
SMILESCc1cccc(-c2nc(CN3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)cs2)c1
InChIInChI=1S/C21H22ClN3O2S2/c1-16-3-2-4-17(13-16)21-23-19(15-28-21)14-24-9-11-25(12-10-24)29(26,27)20-7-5-18(22)6-8-20/h2-8,13,15H,9-12,14H2,1H3
InChIKeyCPFUKYVLVFFOBC-UHFFFAOYSA-N
MW448.01 g/mol
LogP4.28
Rot. Bonds5

About 4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole

4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole (PubChem CID 22197125) has the molecular formula C21H22ClN3O2S2 and a molecular weight of 448.01 g/mol. Its IUPAC name is 4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole
PubChem CID22197125
Molecular FormulaC21H22ClN3O2S2
Molecular Weight448.01 g/mol
Exact Mass447.08
IUPAC Name4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole
SMILESCc1cccc(-c2nc(CN3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)cs2)c1
InChIInChI=1S/C21H22ClN3O2S2/c1-16-3-2-4-17(13-16)21-23-19(15-28-21)14-24-9-11-25(12-10-24)29(26,27)20-7-5-18(22)6-8-20/h2-8,13,15H,9-12,14H2,1H3
InChIKeyCPFUKYVLVFFOBC-UHFFFAOYSA-N
XLogP4.28
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.01
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole with MolForge

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Related Compounds

2-(4-chlorophenyl)-4-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 27182199
2-(3-methylphenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 22197561
2-(4-methoxyphenyl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 26575815
2-ethyl-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 31418875
4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole
CID 22198420
2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-1,3-thiazole
CID 30463446
4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole
CID 22200434
4-[[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 31111224
2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-4-(3-methoxyphenyl)-1,3-thiazole
CID 30463720
3-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]benzoic acid
CID 136550112
4-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole
CID 17375794
2-(3-methylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 6470537

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole?
The IUPAC name of 4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole (CID 22197125) is 4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole?
The canonical SMILES for 4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole is Cc1cccc(-c2nc(CN3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)cs2)c1.
What is the InChIKey of 4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole?
The InChIKey is CPFUKYVLVFFOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2S2/c1-16-3-2-4-17(13-16)21-23-19(15-28-21)14-24-9-11-25(12-10-24)29(26,27)20-7-5-18(22)6-8-20/h2-8,13,15H,9-12,14H2,1H3.
What are the key properties of 4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole?
4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole has a molecular weight of 448.01 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 22197125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).