(4-bromo-3-chlorophenyl)-[(2S,5S)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;(4-bromo-3-chlorophenyl)-[(2S,5R)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;2-(3-chloro-4-fluorophenyl)-1-[(2S,5S)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2R,5S)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2S)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2R)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]ethanone

C106H102Br2Cl6F4N10O18S12 — CID 159572831

About (4-bromo-3-chlorophenyl)-[(2S,5S)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;(4-bromo-3-chlorophenyl)-[(2S,5R)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;2-(3-chloro-4-fluorophenyl)-1-[(2S,5S)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2R,5S)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2S)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2R)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]ethanone

(4-bromo-3-chlorophenyl)-[(2S,5S)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;(4-bromo-3-chlorophenyl)-[(2S,5R)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;2-(3-chloro-4-fluorophenyl)-1-[(2S,5S)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2R,5S)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2S)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2R)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]ethanone (PubChem CID 159572831) has the molecular formula C106H102Br2Cl6F4N10O18S12 and a molecular weight of 2637.36 g/mol. Its IUPAC name is (4-bromo-3-chlorophenyl)-[(2S,5S)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;(4-bromo-3-chlorophenyl)-[(2S,5R)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;2-(3-chloro-4-fluorophenyl)-1-[(2S,5S)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2R,5S)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2S)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2R)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]ethanone.

Molecular Properties

• Compound Name: (4-bromo-3-chlorophenyl)-[(2S,5S)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;(4-bromo-3-chlorophenyl)-[(2S,5R)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;2-(3-chloro-4-fluorophenyl)-1-[(2S,5S)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2R,5S)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2S)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2R)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]ethanone
• PubChem CID: 159572831
• Molecular Formula: C106H102Br2Cl6F4N10O18S12
• Molecular Weight: 2637.36 g/mol
• Exact Mass: 2630.05
• IUPAC Name: (4-bromo-3-chlorophenyl)-[(2S,5S)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;(4-bromo-3-chlorophenyl)-[(2S,5R)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;2-(3-chloro-4-fluorophenyl)-1-[(2S,5S)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2R,5S)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2S)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2R)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]ethanone
• SMILES: C[C@@H]1CS(=O)(=O)[C@H](c2cccs2)CN1C(=O)c1ccc(Br)c(Cl)c1.C[C@H]1CS(=O)(=O)[C@@H](c2cccs2)CN1C(=O)Cc1ccc(F)c(Cl)c1.C[C@H]1CS(=O)(=O)[C@H](c2cccs2)CN1C(=O)Cc1ccc(F)c(Cl)c1.C[C@H]1CS(=O)(=O)[C@H](c2cccs2)CN1C(=O)c1ccc(Br)c(Cl)c1.Cn1cnc(-c2ccc([C@@H]3CN(C(=O)Cc4ccc(F)c(Cl)c4)CCS3(=O)=O)s2)c1.Cn1cnc(-c2ccc([C@H]3CN(C(=O)Cc4ccc(F)c(Cl)c4)CCS3(=O)=O)s2)c1
• InChI: InChI=1S/2C20H19ClFN3O3S2.2C17H17ClFNO3S2.2C16H15BrClNO3S2/c2*1-24-10-16(23-12-24)17-4-5-18(29-17)19-11-25(6-7-30(19,27)28)20(26)9-13-2-3-15(22)14(21)8-13;2*1-11-10-25(22,23)16(15-3-2-6-24-15)9-20(11)17(21)8-12-4-5-14(19)13(18)7-12;2*1-10-9-24(21,22)15(14-3-2-6-23-14)8-19(10)16(20)11-4-5-12(17)13(18)7-11/h2*2-5,8,10,12,19H,6-7,9,11H2,1H3;2*2-7,11,16H,8-10H2,1H3;2*2-7,10,15H,8-9H2,1H3/t2*19-;11-,16+;11-,16-;10-,15+;10-,15-/m100010/s1
• InChIKey: MIAPTNYMZLDGNG-UMOJNUSBSA-N
• XLogP: 22.23
• TPSA: 362.34 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 18
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2637.36
LogP ≤ 5	22.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chlorophenyl)-[(2S,5S)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;(4-bromo-3-chlorophenyl)-[(2S,5R)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;2-(3-chloro-4-fluorophenyl)-1-[(2S,5S)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2R,5S)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2S)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2R)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]ethanone?

The IUPAC name of (4-bromo-3-chlorophenyl)-[(2S,5S)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;(4-bromo-3-chlorophenyl)-[(2S,5R)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;2-(3-chloro-4-fluorophenyl)-1-[(2S,5S)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2R,5S)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2S)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2R)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]ethanone (CID 159572831) is (4-bromo-3-chlorophenyl)-[(2S,5S)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;(4-bromo-3-chlorophenyl)-[(2S,5R)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;2-(3-chloro-4-fluorophenyl)-1-[(2S,5S)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2R,5S)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2S)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2R)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]ethanone.

What is the SMILES notation for (4-bromo-3-chlorophenyl)-[(2S,5S)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;(4-bromo-3-chlorophenyl)-[(2S,5R)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;2-(3-chloro-4-fluorophenyl)-1-[(2S,5S)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2R,5S)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2S)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2R)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]ethanone?

The canonical SMILES for (4-bromo-3-chlorophenyl)-[(2S,5S)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;(4-bromo-3-chlorophenyl)-[(2S,5R)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;2-(3-chloro-4-fluorophenyl)-1-[(2S,5S)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2R,5S)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2S)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2R)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]ethanone is C[C@@H]1CS(=O)(=O)[C@H](c2cccs2)CN1C(=O)c1ccc(Br)c(Cl)c1.C[C@H]1CS(=O)(=O)[C@@H](c2cccs2)CN1C(=O)Cc1ccc(F)c(Cl)c1.C[C@H]1CS(=O)(=O)[C@H](c2cccs2)CN1C(=O)Cc1ccc(F)c(Cl)c1.C[C@H]1CS(=O)(=O)[C@H](c2cccs2)CN1C(=O)c1ccc(Br)c(Cl)c1.Cn1cnc(-c2ccc([C@@H]3CN(C(=O)Cc4ccc(F)c(Cl)c4)CCS3(=O)=O)s2)c1.Cn1cnc(-c2ccc([C@H]3CN(C(=O)Cc4ccc(F)c(Cl)c4)CCS3(=O)=O)s2)c1.

What is the InChIKey of (4-bromo-3-chlorophenyl)-[(2S,5S)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;(4-bromo-3-chlorophenyl)-[(2S,5R)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;2-(3-chloro-4-fluorophenyl)-1-[(2S,5S)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2R,5S)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2S)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2R)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]ethanone?

The InChIKey is MIAPTNYMZLDGNG-UMOJNUSBSA-N. The full InChI is InChI=1S/2C20H19ClFN3O3S2.2C17H17ClFNO3S2.2C16H15BrClNO3S2/c2*1-24-10-16(23-12-24)17-4-5-18(29-17)19-11-25(6-7-30(19,27)28)20(26)9-13-2-3-15(22)14(21)8-13;2*1-11-10-25(22,23)16(15-3-2-6-24-15)9-20(11)17(21)8-12-4-5-14(19)13(18)7-12;2*1-10-9-24(21,22)15(14-3-2-6-23-14)8-19(10)16(20)11-4-5-12(17)13(18)7-11/h2*2-5,8,10,12,19H,6-7,9,11H2,1H3;2*2-7,11,16H,8-10H2,1H3;2*2-7,10,15H,8-9H2,1H3/t2*19-;11-,16+;11-,16-;10-,15+;10-,15-/m100010/s1.

What are the key properties of (4-bromo-3-chlorophenyl)-[(2S,5S)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;(4-bromo-3-chlorophenyl)-[(2S,5R)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;2-(3-chloro-4-fluorophenyl)-1-[(2S,5S)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2R,5S)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2S)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2R)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]ethanone?

(4-bromo-3-chlorophenyl)-[(2S,5S)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;(4-bromo-3-chlorophenyl)-[(2S,5R)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;2-(3-chloro-4-fluorophenyl)-1-[(2S,5S)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2R,5S)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2S)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2R)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]ethanone has a molecular weight of 2637.36 g/mol, XLogP of 22.23, 18 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (4-bromo-3-chlorophenyl)-[(2S,5S)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;(4-bromo-3-chlorophenyl)-[(2S,5R)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;2-(3-chloro-4-fluorophenyl)-1-[(2S,5S)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2R,5S)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2S)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2R)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]ethanone is sourced from PubChem (CID 159572831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).