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

C38H30Br2Cl2F4N6O4S4 — CID 87552328

IUPAC2-[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
SMILESO=S(=O)(c1ccc(Br)cc1Cl)N1CCN(c2nc(-c3cc(F)cc(F)c3)cs2)CC1.O=S(=O)(c1ccc(Br)cc1Cl)N1CCN(c2nc(-c3ccc(F)c(F)c3)cs2)CC1
InChIInChI=1S/2C19H15BrClF2N3O2S2/c20-13-2-4-18(14(21)10-13)30(27,28)26-7-5-25(6-8-26)19-24-17(11-29-19)12-1-3-15(22)16(23)9-12;20-13-1-2-18(16(21)9-13)30(27,28)26-5-3-25(4-6-26)19-24-17(11-29-19)12-7-14(22)10-15(23)8-12/h1-4,9-11H,5-8H2;1-2,7-11H,3-6H2
InChIKeyYTWLSYCFTBLVKG-UHFFFAOYSA-N
MW1069.67 g/mol
LogP10.03
Rot. Bonds8

About 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

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 (PubChem CID 87552328) has the molecular formula C38H30Br2Cl2F4N6O4S4 and a molecular weight of 1069.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID87552328
Molecular FormulaC38H30Br2Cl2F4N6O4S4
Molecular Weight1069.67 g/mol
Exact Mass1065.89
IUPAC Name2-[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
SMILESO=S(=O)(c1ccc(Br)cc1Cl)N1CCN(c2nc(-c3cc(F)cc(F)c3)cs2)CC1.O=S(=O)(c1ccc(Br)cc1Cl)N1CCN(c2nc(-c3ccc(F)c(F)c3)cs2)CC1
InChIInChI=1S/2C19H15BrClF2N3O2S2/c20-13-2-4-18(14(21)10-13)30(27,28)26-7-5-25(6-8-26)19-24-17(11-29-19)12-1-3-15(22)16(23)9-12;20-13-1-2-18(16(21)9-13)30(27,28)26-5-3-25(4-6-26)19-24-17(11-29-19)12-7-14(22)10-15(23)8-12/h1-4,9-11H,5-8H2;1-2,7-11H,3-6H2
InChIKeyYTWLSYCFTBLVKG-UHFFFAOYSA-N
XLogP10.03
TPSA107.02 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001069.67
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=S(=O)(c1ccc(Br)cc1Cl)N1CCN(c2nc(-c3cc(F)cc(F)c3)cs2)CC1.O=S(=O)(c1ccc(Br)cc1Cl)N1CCN(c2nc(-c3ccc(F)c(F)c3)cs2)CC1.
What is the InChIKey of 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?
The InChIKey is YTWLSYCFTBLVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H15BrClF2N3O2S2/c20-13-2-4-18(14(21)10-13)30(27,28)26-7-5-25(6-8-26)19-24-17(11-29-19)12-1-3-15(22)16(23)9-12;20-13-1-2-18(16(21)9-13)30(27,28)26-5-3-25(4-6-26)19-24-17(11-29-19)12-7-14(22)10-15(23)8-12/h1-4,9-11H,5-8H2;1-2,7-11H,3-6H2.
What are the key properties of 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?
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 has a molecular weight of 1069.67 g/mol, XLogP of 10.03, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 87552328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).