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

C102H94Br4Cl6F2N10O18S12 — CID 159748630

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

(4-bromo-3-chlorophenyl)-[(2S)-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;(4-bromo-3-chlorophenyl)-[(2R)-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;(4-bromo-3-chlorophenyl)-[(2S)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]methanone;(4-bromo-3-chlorophenyl)-[(2R)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]methanone;2-(3-chloro-4-fluorophenyl)-1-[(2S,5R)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2R,5R)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone (PubChem CID 159748630) has the molecular formula C102H94Br4Cl6F2N10O18S12 and a molecular weight of 2703.06 g/mol. Its IUPAC name is (4-bromo-3-chlorophenyl)-[(2S)-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;(4-bromo-3-chlorophenyl)-[(2R)-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;(4-bromo-3-chlorophenyl)-[(2S)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]methanone;(4-bromo-3-chlorophenyl)-[(2R)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]methanone;2-(3-chloro-4-fluorophenyl)-1-[(2S,5R)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2R,5R)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone.

Molecular Properties

• Compound Name: (4-bromo-3-chlorophenyl)-[(2S)-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;(4-bromo-3-chlorophenyl)-[(2R)-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;(4-bromo-3-chlorophenyl)-[(2S)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]methanone;(4-bromo-3-chlorophenyl)-[(2R)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]methanone;2-(3-chloro-4-fluorophenyl)-1-[(2S,5R)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2R,5R)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone
• PubChem CID: 159748630
• Molecular Formula: C102H94Br4Cl6F2N10O18S12
• Molecular Weight: 2703.06 g/mol
• Exact Mass: 2693.82
• IUPAC Name: (4-bromo-3-chlorophenyl)-[(2S)-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;(4-bromo-3-chlorophenyl)-[(2R)-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;(4-bromo-3-chlorophenyl)-[(2S)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]methanone;(4-bromo-3-chlorophenyl)-[(2R)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]methanone;2-(3-chloro-4-fluorophenyl)-1-[(2S,5R)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2R,5R)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone
• SMILES: 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.Cn1cnc(-c2ccc([C@@H]3CN(C(=O)c4ccc(Br)c(Cl)c4)CCS3(=O)=O)s2)c1.Cn1cnc(-c2ccc([C@H]3CN(C(=O)c4ccc(Br)c(Cl)c4)CCS3(=O)=O)s2)c1.O=C(c1ccc(Br)c(Cl)c1)N1CCS(=O)(=O)[C@@H](c2cccs2)C1.O=C(c1ccc(Br)c(Cl)c1)N1CCS(=O)(=O)[C@H](c2cccs2)C1
• InChI: InChI=1S/2C19H17BrClN3O3S2.2C17H17ClFNO3S2.2C15H13BrClNO3S2/c2*1-23-9-15(22-11-23)16-4-5-17(28-16)18-10-24(6-7-29(18,26)27)19(25)12-2-3-13(20)14(21)8-12;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*16-11-4-3-10(8-12(11)17)15(19)18-5-7-23(20,21)14(9-18)13-2-1-6-22-13/h2*2-5,8-9,11,18H,6-7,10H2,1H3;2*2-7,11,16H,8-10H2,1H3;2*1-4,6,8,14H,5,7,9H2/t2*18-;11-,16+;11-,16-;2*14-/m101110/s1
• InChIKey: NDJGRGGQRRHVQV-OMSPZFPESA-N
• XLogP: 22.84
• TPSA: 362.34 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 16
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2703.06
LogP ≤ 5	22.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

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

The IUPAC name of (4-bromo-3-chlorophenyl)-[(2S)-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;(4-bromo-3-chlorophenyl)-[(2R)-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;(4-bromo-3-chlorophenyl)-[(2S)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]methanone;(4-bromo-3-chlorophenyl)-[(2R)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]methanone;2-(3-chloro-4-fluorophenyl)-1-[(2S,5R)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2R,5R)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone (CID 159748630) is (4-bromo-3-chlorophenyl)-[(2S)-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;(4-bromo-3-chlorophenyl)-[(2R)-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;(4-bromo-3-chlorophenyl)-[(2S)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]methanone;(4-bromo-3-chlorophenyl)-[(2R)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]methanone;2-(3-chloro-4-fluorophenyl)-1-[(2S,5R)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2R,5R)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone.

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

The canonical SMILES for (4-bromo-3-chlorophenyl)-[(2S)-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;(4-bromo-3-chlorophenyl)-[(2R)-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;(4-bromo-3-chlorophenyl)-[(2S)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]methanone;(4-bromo-3-chlorophenyl)-[(2R)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]methanone;2-(3-chloro-4-fluorophenyl)-1-[(2S,5R)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2R,5R)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone is 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.Cn1cnc(-c2ccc([C@@H]3CN(C(=O)c4ccc(Br)c(Cl)c4)CCS3(=O)=O)s2)c1.Cn1cnc(-c2ccc([C@H]3CN(C(=O)c4ccc(Br)c(Cl)c4)CCS3(=O)=O)s2)c1.O=C(c1ccc(Br)c(Cl)c1)N1CCS(=O)(=O)[C@@H](c2cccs2)C1.O=C(c1ccc(Br)c(Cl)c1)N1CCS(=O)(=O)[C@H](c2cccs2)C1.

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

The InChIKey is NDJGRGGQRRHVQV-OMSPZFPESA-N. The full InChI is InChI=1S/2C19H17BrClN3O3S2.2C17H17ClFNO3S2.2C15H13BrClNO3S2/c2*1-23-9-15(22-11-23)16-4-5-17(28-16)18-10-24(6-7-29(18,26)27)19(25)12-2-3-13(20)14(21)8-12;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*16-11-4-3-10(8-12(11)17)15(19)18-5-7-23(20,21)14(9-18)13-2-1-6-22-13/h2*2-5,8-9,11,18H,6-7,10H2,1H3;2*2-7,11,16H,8-10H2,1H3;2*1-4,6,8,14H,5,7,9H2/t2*18-;11-,16+;11-,16-;2*14-/m101110/s1.

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

(4-bromo-3-chlorophenyl)-[(2S)-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;(4-bromo-3-chlorophenyl)-[(2R)-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;(4-bromo-3-chlorophenyl)-[(2S)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]methanone;(4-bromo-3-chlorophenyl)-[(2R)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]methanone;2-(3-chloro-4-fluorophenyl)-1-[(2S,5R)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2R,5R)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone has a molecular weight of 2703.06 g/mol, XLogP of 22.84, 16 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)-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;(4-bromo-3-chlorophenyl)-[(2R)-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;(4-bromo-3-chlorophenyl)-[(2S)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]methanone;(4-bromo-3-chlorophenyl)-[(2R)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]methanone;2-(3-chloro-4-fluorophenyl)-1-[(2S,5R)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2R,5R)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone is sourced from PubChem (CID 159748630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).