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

C40H36Br2Cl2F2N6O6S4 — CID 87551582

IUPAC2-[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
SMILESCOc1ccc(Br)cc1S(=O)(=O)N1CCN(c2nc(-c3cc(F)cc(Cl)c3)cs2)CC1.COc1ccc(Br)cc1S(=O)(=O)N1CCN(c2nc(-c3ccc(F)c(Cl)c3)cs2)CC1
InChIInChI=1S/2C20H18BrClFN3O3S2/c1-29-18-5-3-14(21)11-19(18)31(27,28)26-8-6-25(7-9-26)20-24-17(12-30-20)13-2-4-16(23)15(22)10-13;1-29-18-3-2-14(21)10-19(18)31(27,28)26-6-4-25(5-7-26)20-24-17(12-30-20)13-8-15(22)11-16(23)9-13/h2-5,10-12H,6-9H2,1H3;2-3,8-12H,4-7H2,1H3
InChIKeyGRGNATOOJAHTTE-UHFFFAOYSA-N
MW1093.74 g/mol
LogP9.77
Rot. Bonds10

About 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

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 (PubChem CID 87551582) has the molecular formula C40H36Br2Cl2F2N6O6S4 and a molecular weight of 1093.74 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID87551582
Molecular FormulaC40H36Br2Cl2F2N6O6S4
Molecular Weight1093.74 g/mol
Exact Mass1089.93
IUPAC Name2-[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
SMILESCOc1ccc(Br)cc1S(=O)(=O)N1CCN(c2nc(-c3cc(F)cc(Cl)c3)cs2)CC1.COc1ccc(Br)cc1S(=O)(=O)N1CCN(c2nc(-c3ccc(F)c(Cl)c3)cs2)CC1
InChIInChI=1S/2C20H18BrClFN3O3S2/c1-29-18-5-3-14(21)11-19(18)31(27,28)26-8-6-25(7-9-26)20-24-17(12-30-20)13-2-4-16(23)15(22)10-13;1-29-18-3-2-14(21)10-19(18)31(27,28)26-6-4-25(5-7-26)20-24-17(12-30-20)13-8-15(22)11-16(23)9-13/h2-5,10-12H,6-9H2,1H3;2-3,8-12H,4-7H2,1H3
InChIKeyGRGNATOOJAHTTE-UHFFFAOYSA-N
XLogP9.77
TPSA125.48 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001093.74
LogP ≤ 59.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Related Compounds

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-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
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
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
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-(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-(2-methoxyphenyl)-1,3-thiazole;2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-4-(2-methylphenyl)-1,3-thiazole
CID 87551975
4-(3,5-difluorophenyl)-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole
CID 68573763
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(4-fluorophenyl)-1,3-thiazole
CID 1447228
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
4-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-[(3,5-dimethylphenyl)methyl]-1,3-thiazole
CID 158324939
4-(3-chloro-5-fluorophenyl)-2-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-1-yl]-1,3-thiazole
CID 87466657

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(Br)cc1S(=O)(=O)N1CCN(c2nc(-c3cc(F)cc(Cl)c3)cs2)CC1.COc1ccc(Br)cc1S(=O)(=O)N1CCN(c2nc(-c3ccc(F)c(Cl)c3)cs2)CC1.
What is the InChIKey of 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?
The InChIKey is GRGNATOOJAHTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H18BrClFN3O3S2/c1-29-18-5-3-14(21)11-19(18)31(27,28)26-8-6-25(7-9-26)20-24-17(12-30-20)13-2-4-16(23)15(22)10-13;1-29-18-3-2-14(21)10-19(18)31(27,28)26-6-4-25(5-7-26)20-24-17(12-30-20)13-8-15(22)11-16(23)9-13/h2-5,10-12H,6-9H2,1H3;2-3,8-12H,4-7H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 1093.74 g/mol, XLogP of 9.77, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 87551582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).