4-(bromomethyl)benzenesulfonyl chloride;[5-[4-[2-[4-[2-[4-(bromomethyl)phenyl]sulfonyloxy-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl] 4-(bromomethyl)benzenesulfonate;2-hydroxy-5-[4-[2-[4-(2-hydroxy-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione

C83H60Br3ClN4O22S3 — CID 158923534

About 4-(bromomethyl)benzenesulfonyl chloride;[5-[4-[2-[4-[2-[4-(bromomethyl)phenyl]sulfonyloxy-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl] 4-(bromomethyl)benzenesulfonate;2-hydroxy-5-[4-[2-[4-(2-hydroxy-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione

4-(bromomethyl)benzenesulfonyl chloride;[5-[4-[2-[4-[2-[4-(bromomethyl)phenyl]sulfonyloxy-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl] 4-(bromomethyl)benzenesulfonate;2-hydroxy-5-[4-[2-[4-(2-hydroxy-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione (PubChem CID 158923534) has the molecular formula C83H60Br3ClN4O22S3 and a molecular weight of 1836.76 g/mol. Its IUPAC name is 4-(bromomethyl)benzenesulfonyl chloride;[5-[4-[2-[4-[2-[4-(bromomethyl)phenyl]sulfonyloxy-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl] 4-(bromomethyl)benzenesulfonate;2-hydroxy-5-[4-[2-[4-(2-hydroxy-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 4-(bromomethyl)benzenesulfonyl chloride;[5-[4-[2-[4-[2-[4-(bromomethyl)phenyl]sulfonyloxy-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl] 4-(bromomethyl)benzenesulfonate;2-hydroxy-5-[4-[2-[4-(2-hydroxy-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione
• PubChem CID: 158923534
• Molecular Formula: C83H60Br3ClN4O22S3
• Molecular Weight: 1836.76 g/mol
• Exact Mass: 1832.01
• IUPAC Name: 4-(bromomethyl)benzenesulfonyl chloride;[5-[4-[2-[4-[2-[4-(bromomethyl)phenyl]sulfonyloxy-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl] 4-(bromomethyl)benzenesulfonate;2-hydroxy-5-[4-[2-[4-(2-hydroxy-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione
• SMILES: CC(C)(c1ccc(Oc2ccc3c(c2)C(=O)N(O)C3=O)cc1)c1ccc(Oc2ccc3c(c2)C(=O)N(O)C3=O)cc1.CC(C)(c1ccc(Oc2ccc3c(c2)C(=O)N(OS(=O)(=O)c2ccc(CBr)cc2)C3=O)cc1)c1ccc(Oc2ccc3c(c2)C(=O)N(OS(=O)(=O)c2ccc(CBr)cc2)C3=O)cc1.O=S(=O)(Cl)c1ccc(CBr)cc1
• InChI: InChI=1S/C45H32Br2N2O12S2.C31H22N2O8.C7H6BrClO2S/c1-45(2,29-7-11-31(12-8-29)58-33-15-21-37-39(23-33)43(52)48(41(37)50)60-62(54,55)35-17-3-27(25-46)4-18-35)30-9-13-32(14-10-30)59-34-16-22-38-40(24-34)44(53)49(42(38)51)61-63(56,57)36-19-5-28(26-47)6-20-36;1-31(2,17-3-7-19(8-4-17)40-21-11-13-23-25(15-21)29(36)32(38)27(23)34)18-5-9-20(10-6-18)41-22-12-14-24-26(16-22)30(37)33(39)28(24)35;8-5-6-1-3-7(4-2-6)12(9,10)11/h3-24H,25-26H2,1-2H3;3-16,38-39H,1-2H3;1-4H,5H2
• InChIKey: JIDIIXFAXCIUBJ-UHFFFAOYSA-N
• XLogP: 17.30
• TPSA: 347.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 22
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1836.76
LogP ≤ 5	17.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)benzenesulfonyl chloride;[5-[4-[2-[4-[2-[4-(bromomethyl)phenyl]sulfonyloxy-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl] 4-(bromomethyl)benzenesulfonate;2-hydroxy-5-[4-[2-[4-(2-hydroxy-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione?

The IUPAC name of 4-(bromomethyl)benzenesulfonyl chloride;[5-[4-[2-[4-[2-[4-(bromomethyl)phenyl]sulfonyloxy-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl] 4-(bromomethyl)benzenesulfonate;2-hydroxy-5-[4-[2-[4-(2-hydroxy-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione (CID 158923534) is 4-(bromomethyl)benzenesulfonyl chloride;[5-[4-[2-[4-[2-[4-(bromomethyl)phenyl]sulfonyloxy-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl] 4-(bromomethyl)benzenesulfonate;2-hydroxy-5-[4-[2-[4-(2-hydroxy-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione.

What is the SMILES notation for 4-(bromomethyl)benzenesulfonyl chloride;[5-[4-[2-[4-[2-[4-(bromomethyl)phenyl]sulfonyloxy-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl] 4-(bromomethyl)benzenesulfonate;2-hydroxy-5-[4-[2-[4-(2-hydroxy-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione?

The canonical SMILES for 4-(bromomethyl)benzenesulfonyl chloride;[5-[4-[2-[4-[2-[4-(bromomethyl)phenyl]sulfonyloxy-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl] 4-(bromomethyl)benzenesulfonate;2-hydroxy-5-[4-[2-[4-(2-hydroxy-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione is CC(C)(c1ccc(Oc2ccc3c(c2)C(=O)N(O)C3=O)cc1)c1ccc(Oc2ccc3c(c2)C(=O)N(O)C3=O)cc1.CC(C)(c1ccc(Oc2ccc3c(c2)C(=O)N(OS(=O)(=O)c2ccc(CBr)cc2)C3=O)cc1)c1ccc(Oc2ccc3c(c2)C(=O)N(OS(=O)(=O)c2ccc(CBr)cc2)C3=O)cc1.O=S(=O)(Cl)c1ccc(CBr)cc1.

What is the InChIKey of 4-(bromomethyl)benzenesulfonyl chloride;[5-[4-[2-[4-[2-[4-(bromomethyl)phenyl]sulfonyloxy-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl] 4-(bromomethyl)benzenesulfonate;2-hydroxy-5-[4-[2-[4-(2-hydroxy-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione?

The InChIKey is JIDIIXFAXCIUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32Br2N2O12S2.C31H22N2O8.C7H6BrClO2S/c1-45(2,29-7-11-31(12-8-29)58-33-15-21-37-39(23-33)43(52)48(41(37)50)60-62(54,55)35-17-3-27(25-46)4-18-35)30-9-13-32(14-10-30)59-34-16-22-38-40(24-34)44(53)49(42(38)51)61-63(56,57)36-19-5-28(26-47)6-20-36;1-31(2,17-3-7-19(8-4-17)40-21-11-13-23-25(15-21)29(36)32(38)27(23)34)18-5-9-20(10-6-18)41-22-12-14-24-26(16-22)30(37)33(39)28(24)35;8-5-6-1-3-7(4-2-6)12(9,10)11/h3-24H,25-26H2,1-2H3;3-16,38-39H,1-2H3;1-4H,5H2.

What are the key properties of 4-(bromomethyl)benzenesulfonyl chloride;[5-[4-[2-[4-[2-[4-(bromomethyl)phenyl]sulfonyloxy-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl] 4-(bromomethyl)benzenesulfonate;2-hydroxy-5-[4-[2-[4-(2-hydroxy-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione?

4-(bromomethyl)benzenesulfonyl chloride;[5-[4-[2-[4-[2-[4-(bromomethyl)phenyl]sulfonyloxy-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl] 4-(bromomethyl)benzenesulfonate;2-hydroxy-5-[4-[2-[4-(2-hydroxy-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione has a molecular weight of 1836.76 g/mol, XLogP of 17.30, 22 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(bromomethyl)benzenesulfonyl chloride;[5-[4-[2-[4-[2-[4-(bromomethyl)phenyl]sulfonyloxy-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl] 4-(bromomethyl)benzenesulfonate;2-hydroxy-5-[4-[2-[4-(2-hydroxy-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione is sourced from PubChem (CID 158923534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).