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

C41H40Br2ClFN6O7S4 — CID 159606515

IUPAC2-[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
SMILESCOc1cc(-c2csc(N3CCN(S(=O)(=O)c4cccc(Br)c4)CC3)n2)cc(OC)c1OC.O=S(=O)(c1cccc(Br)c1)N1CCN(c2nc(-c3ccc(Cl)c(F)c3)cs2)CC1
InChIInChI=1S/C22H24BrN3O5S2.C19H16BrClFN3O2S2/c1-29-19-11-15(12-20(30-2)21(19)31-3)18-14-32-22(24-18)25-7-9-26(10-8-25)33(27,28)17-6-4-5-16(23)13-17;20-14-2-1-3-15(11-14)29(26,27)25-8-6-24(7-9-25)19-23-18(12-28-19)13-4-5-16(21)17(22)10-13/h4-6,11-14H,7-10H2,1-3H3;1-5,10-12H,6-9H2
InChIKeyMMDOHYZBWMGUQO-UHFFFAOYSA-N
MW1071.33 g/mol
LogP8.99
Rot. Bonds11

About 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

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 (PubChem CID 159606515) has the molecular formula C41H40Br2ClFN6O7S4 and a molecular weight of 1071.33 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID159606515
Molecular FormulaC41H40Br2ClFN6O7S4
Molecular Weight1071.33 g/mol
Exact Mass1067.99
IUPAC Name2-[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
SMILESCOc1cc(-c2csc(N3CCN(S(=O)(=O)c4cccc(Br)c4)CC3)n2)cc(OC)c1OC.O=S(=O)(c1cccc(Br)c1)N1CCN(c2nc(-c3ccc(Cl)c(F)c3)cs2)CC1
InChIInChI=1S/C22H24BrN3O5S2.C19H16BrClFN3O2S2/c1-29-19-11-15(12-20(30-2)21(19)31-3)18-14-32-22(24-18)25-7-9-26(10-8-25)33(27,28)17-6-4-5-16(23)13-17;20-14-2-1-3-15(11-14)29(26,27)25-8-6-24(7-9-25)19-23-18(12-28-19)13-4-5-16(21)17(22)10-13/h4-6,11-14H,7-10H2,1-3H3;1-5,10-12H,6-9H2
InChIKeyMMDOHYZBWMGUQO-UHFFFAOYSA-N
XLogP8.99
TPSA134.71 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001071.33
LogP ≤ 58.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 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 with MolForge

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Related Compounds

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
4-(3-chloro-4-fluorophenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;4-(3-chloro-5-fluorophenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;4-(4-chloro-3-fluorophenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;4-(3,5-dichlorophenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;4-(3,5-dimethylphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole
CID 173105274
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
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-bromophenyl)-1,3-thiazole;2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-4-(3-methoxyphenyl)-1,3-thiazole
CID 87551439
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
4-(3-bromophenyl)-2-[4-(2,5-dibromo-3,6-difluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(2,5-dibromo-3,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-(3-methoxyphenyl)-1,3-thiazole
CID 87551893
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(4-fluorophenyl)-1,3-thiazole
CID 1447228
2-[4-(2,5-dibromo-3,6-difluorophenyl)sulfonylpiperidin-1-yl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole
CID 87466584
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(-c2csc(N3CCN(S(=O)(=O)c4cccc(Br)c4)CC3)n2)cc(OC)c1OC.O=S(=O)(c1cccc(Br)c1)N1CCN(c2nc(-c3ccc(Cl)c(F)c3)cs2)CC1.
What is the InChIKey of 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?
The InChIKey is MMDOHYZBWMGUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrN3O5S2.C19H16BrClFN3O2S2/c1-29-19-11-15(12-20(30-2)21(19)31-3)18-14-32-22(24-18)25-7-9-26(10-8-25)33(27,28)17-6-4-5-16(23)13-17;20-14-2-1-3-15(11-14)29(26,27)25-8-6-24(7-9-25)19-23-18(12-28-19)13-4-5-16(21)17(22)10-13/h4-6,11-14H,7-10H2,1-3H3;1-5,10-12H,6-9H2.
What are the key properties of 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?
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 has a molecular weight of 1071.33 g/mol, XLogP of 8.99, 11 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159606515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).