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

C40H38Br2Cl2N6O5S4 — CID 87551975

IUPAC2-[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
SMILESCOc1ccccc1-c1csc(N2CCN(S(=O)(=O)c3ccc(Br)cc3Cl)CC2)n1.Cc1ccccc1-c1csc(N2CCN(S(=O)(=O)c3ccc(Br)cc3Cl)CC2)n1
InChIInChI=1S/C20H19BrClN3O3S2.C20H19BrClN3O2S2/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(21)12-16(19)22;1-14-4-2-3-5-16(14)18-13-28-20(23-18)24-8-10-25(11-9-24)29(26,27)19-7-6-15(21)12-17(19)22/h2-7,12-13H,8-11H2,1H3;2-7,12-13H,8-11H2,1H3
InChIKeyCPEMWOUOYUOACF-UHFFFAOYSA-N
MW1041.76 g/mol
LogP9.79
Rot. Bonds9

About 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

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 (PubChem CID 87551975) has the molecular formula C40H38Br2Cl2N6O5S4 and a molecular weight of 1041.76 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID87551975
Molecular FormulaC40H38Br2Cl2N6O5S4
Molecular Weight1041.76 g/mol
Exact Mass1037.95
IUPAC Name2-[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
SMILESCOc1ccccc1-c1csc(N2CCN(S(=O)(=O)c3ccc(Br)cc3Cl)CC2)n1.Cc1ccccc1-c1csc(N2CCN(S(=O)(=O)c3ccc(Br)cc3Cl)CC2)n1
InChIInChI=1S/C20H19BrClN3O3S2.C20H19BrClN3O2S2/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(21)12-16(19)22;1-14-4-2-3-5-16(14)18-13-28-20(23-18)24-8-10-25(11-9-24)29(26,27)19-7-6-15(21)12-17(19)22/h2-7,12-13H,8-11H2,1H3;2-7,12-13H,8-11H2,1H3
InChIKeyCPEMWOUOYUOACF-UHFFFAOYSA-N
XLogP9.79
TPSA116.25 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001041.76
LogP ≤ 59.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Related Compounds

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-(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
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
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-(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-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-(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-bromophenyl)sulfonylpiperazin-1-yl]-4-pyridin-2-yl-1,3-thiazole;2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-(2,4,6-trimethylphenyl)-1,3-thiazole
CID 87572094
2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-4-(4-methoxyphenyl)-1,3-thiazole;2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-4-(4-methylphenyl)-1,3-thiazole
CID 157388900
2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-4-[(4-ethoxyphenyl)methyl]-1,3-thiazole;2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-4-[(4-ethylphenyl)methyl]-1,3-thiazole
CID 87551181
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccccc1-c1csc(N2CCN(S(=O)(=O)c3ccc(Br)cc3Cl)CC2)n1.Cc1ccccc1-c1csc(N2CCN(S(=O)(=O)c3ccc(Br)cc3Cl)CC2)n1.
What is the InChIKey of 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?
The InChIKey is CPEMWOUOYUOACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrClN3O3S2.C20H19BrClN3O2S2/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(21)12-16(19)22;1-14-4-2-3-5-16(14)18-13-28-20(23-18)24-8-10-25(11-9-24)29(26,27)19-7-6-15(21)12-17(19)22/h2-7,12-13H,8-11H2,1H3;2-7,12-13H,8-11H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 1041.76 g/mol, XLogP of 9.79, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 87551975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).