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

C20H20ClN3O2S2 — CID 30463446

IUPAC2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-1,3-thiazole
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C20H20ClN3O2S2/c21-17-6-8-18(9-7-17)28(25,26)24-12-10-23(11-13-24)14-20-22-19(15-27-20)16-4-2-1-3-5-16/h1-9,15H,10-14H2
InChIKeyDHDKAYOVFXXVCD-UHFFFAOYSA-N
MW433.99 g/mol
LogP3.97
Rot. Bonds5

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

2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-1,3-thiazole (PubChem CID 30463446) has the molecular formula C20H20ClN3O2S2 and a molecular weight of 433.99 g/mol. Its IUPAC name is 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-1,3-thiazole
PubChem CID30463446
Molecular FormulaC20H20ClN3O2S2
Molecular Weight433.99 g/mol
Exact Mass433.07
IUPAC Name2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-1,3-thiazole
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C20H20ClN3O2S2/c21-17-6-8-18(9-7-17)28(25,26)24-12-10-23(11-13-24)14-20-22-19(15-27-20)16-4-2-1-3-5-16/h1-9,15H,10-14H2
InChIKeyDHDKAYOVFXXVCD-UHFFFAOYSA-N
XLogP3.97
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.99
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 30463647
2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-4-(3-methoxyphenyl)-1,3-thiazole
CID 30463720
2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole
CID 30463840
4-(4-fluorophenyl)-2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 25191881
2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 30463697
1-[4-[[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone
CID 60603912
2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-(3-methoxyphenyl)-1,3-thiazole
CID 30463718
4-(4-chlorophenyl)-2-[[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 30463630
2-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-4-thiophen-2-yl-1,3-thiazole
CID 30463865
4-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-chlorophenyl)-1,3-thiazole
CID 5121122
2-(4-chlorophenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole
CID 1033169
2-[[4-[1-(6-chloro-1-benzothiophen-2-yl)prop-2-enylsulfonyl]piperazin-1-yl]methyl]-4-phenyl-1,3-thiazole
CID 174447618

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-1,3-thiazole?
The IUPAC name of 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-1,3-thiazole (CID 30463446) is 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-1,3-thiazole is O=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2nc(-c3ccccc3)cs2)CC1.
What is the InChIKey of 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-1,3-thiazole?
The InChIKey is DHDKAYOVFXXVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2S2/c21-17-6-8-18(9-7-17)28(25,26)24-12-10-23(11-13-24)14-20-22-19(15-27-20)16-4-2-1-3-5-16/h1-9,15H,10-14H2.
What are the key properties of 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-1,3-thiazole?
2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-1,3-thiazole has a molecular weight of 433.99 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-1,3-thiazole is sourced from PubChem (CID 30463446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).