2-[4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(2-methoxyphenyl)-1,3-thiazole;2-[4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenyl)-1,3-thiazole

C40H38Cl2F2N6O5S4 — CID 87551925

IUPAC2-[4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(2-methoxyphenyl)-1,3-thiazole;2-[4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenyl)-1,3-thiazole
SMILESCOc1ccccc1-c1csc(N2CCN(S(=O)(=O)c3ccc(F)cc3Cl)CC2)n1.Cc1cccc(-c2csc(N3CCN(S(=O)(=O)c4ccc(F)cc4Cl)CC3)n2)c1
InChIInChI=1S/C20H19ClFN3O3S2.C20H19ClFN3O2S2/c1-28-18-5-3-2-4-15(18)17-13-29-20(23-17)24-8-10-25(11-9-24)30(26,27)19-7-6-14(22)12-16(19)21;1-14-3-2-4-15(11-14)18-13-28-20(23-18)24-7-9-25(10-8-24)29(26,27)19-6-5-16(22)12-17(19)21/h2-7,12-13H,8-11H2,1H3;2-6,11-13H,7-10H2,1H3
InChIKeyUNHXLMXSKGEWRP-UHFFFAOYSA-N
MW919.95 g/mol
LogP8.54
Rot. Bonds9

About 2-[4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(2-methoxyphenyl)-1,3-thiazole;2-[4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenyl)-1,3-thiazole

2-[4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(2-methoxyphenyl)-1,3-thiazole;2-[4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenyl)-1,3-thiazole (PubChem CID 87551925) has the molecular formula C40H38Cl2F2N6O5S4 and a molecular weight of 919.95 g/mol. Its IUPAC name is 2-[4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(2-methoxyphenyl)-1,3-thiazole;2-[4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(2-methoxyphenyl)-1,3-thiazole;2-[4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenyl)-1,3-thiazole
PubChem CID87551925
Molecular FormulaC40H38Cl2F2N6O5S4
Molecular Weight919.95 g/mol
Exact Mass918.11
IUPAC Name2-[4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(2-methoxyphenyl)-1,3-thiazole;2-[4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenyl)-1,3-thiazole
SMILESCOc1ccccc1-c1csc(N2CCN(S(=O)(=O)c3ccc(F)cc3Cl)CC2)n1.Cc1cccc(-c2csc(N3CCN(S(=O)(=O)c4ccc(F)cc4Cl)CC3)n2)c1
InChIInChI=1S/C20H19ClFN3O3S2.C20H19ClFN3O2S2/c1-28-18-5-3-2-4-15(18)17-13-29-20(23-17)24-8-10-25(11-9-24)30(26,27)19-7-6-14(22)12-16(19)21;1-14-3-2-4-15(11-14)18-13-28-20(23-18)24-7-9-25(10-8-24)29(26,27)19-6-5-16(22)12-17(19)21/h2-7,12-13H,8-11H2,1H3;2-6,11-13H,7-10H2,1H3
InChIKeyUNHXLMXSKGEWRP-UHFFFAOYSA-N
XLogP8.54
TPSA116.25 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500919.95
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2-[4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(2-methoxyphenyl)-1,3-thiazole;2-[4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenyl)-1,3-thiazole with MolForge

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Related Compounds

4-(2-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenyl)-1,3-thiazole
CID 160977428
2-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-4-(3-methoxyphenyl)-1,3-thiazole;2-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenyl)-1,3-thiazole
CID 68729592
2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-4-(2-methoxyphenyl)-1,3-thiazole;2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-4-(2-methylphenyl)-1,3-thiazole
CID 87551975
4-(3-methoxyphenyl)-2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;4-(3-methylphenyl)-2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole
CID 162011689
2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-4-(3-bromophenyl)-1,3-thiazole;2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-4-(3-methoxyphenyl)-1,3-thiazole
CID 87551439
2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(2-methylphenyl)-1,3-thiazole;2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-4-phenyl-1,3-thiazole
CID 157152926
2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(2,4,6-trimethylphenyl)-1,3-thiazole
CID 157328422
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(2-methoxyphenyl)-1,3-thiazole;2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(2-methylphenyl)-1,3-thiazole
CID 161160175
2-[4-(5-bromo-2-methoxyphenyl)sulfonylpiperazin-1-yl]-4-(3-chloro-4-fluorophenyl)-1,3-thiazole;2-[4-(5-bromo-2-methoxyphenyl)sulfonylpiperazin-1-yl]-4-(3-chloro-5-fluorophenyl)-1,3-thiazole
CID 87551582
2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-4-(3,4-difluorophenyl)-1,3-thiazole;2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-4-(3,5-difluorophenyl)-1,3-thiazole
CID 87552328
2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-4-(4-chloro-3-fluorophenyl)-1,3-thiazole;2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole
CID 159606515
4-(3-bromophenyl)-2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3-methoxyphenyl)-1,3-thiazole
CID 159329286

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(2-methoxyphenyl)-1,3-thiazole;2-[4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenyl)-1,3-thiazole?
The IUPAC name of 2-[4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(2-methoxyphenyl)-1,3-thiazole;2-[4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenyl)-1,3-thiazole (CID 87551925) is 2-[4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(2-methoxyphenyl)-1,3-thiazole;2-[4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-[4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(2-methoxyphenyl)-1,3-thiazole;2-[4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenyl)-1,3-thiazole?
The canonical SMILES for 2-[4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(2-methoxyphenyl)-1,3-thiazole;2-[4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenyl)-1,3-thiazole is COc1ccccc1-c1csc(N2CCN(S(=O)(=O)c3ccc(F)cc3Cl)CC2)n1.Cc1cccc(-c2csc(N3CCN(S(=O)(=O)c4ccc(F)cc4Cl)CC3)n2)c1.
What is the InChIKey of 2-[4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(2-methoxyphenyl)-1,3-thiazole;2-[4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenyl)-1,3-thiazole?
The InChIKey is UNHXLMXSKGEWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O3S2.C20H19ClFN3O2S2/c1-28-18-5-3-2-4-15(18)17-13-29-20(23-17)24-8-10-25(11-9-24)30(26,27)19-7-6-14(22)12-16(19)21;1-14-3-2-4-15(11-14)18-13-28-20(23-18)24-7-9-25(10-8-24)29(26,27)19-6-5-16(22)12-17(19)21/h2-7,12-13H,8-11H2,1H3;2-6,11-13H,7-10H2,1H3.
What are the key properties of 2-[4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(2-methoxyphenyl)-1,3-thiazole;2-[4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenyl)-1,3-thiazole?
2-[4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(2-methoxyphenyl)-1,3-thiazole;2-[4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenyl)-1,3-thiazole has a molecular weight of 919.95 g/mol, XLogP of 8.54, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(2-methoxyphenyl)-1,3-thiazole;2-[4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 87551925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).