4-acetylbenzenesulfonyl chloride;8-(4-acetylphenyl)sulfonyl-4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one;1-(4-acetylphenyl)sulfonylpiperidin-4-one;8-(4-acetylphenyl)sulfonyl-1,4,8-triazaspiro[4.5]decan-3-one;dooctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81-hentetracontayne;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne

C272H71ClN7O15S4- — CID 157465673

About 4-acetylbenzenesulfonyl chloride;8-(4-acetylphenyl)sulfonyl-4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one;1-(4-acetylphenyl)sulfonylpiperidin-4-one;8-(4-acetylphenyl)sulfonyl-1,4,8-triazaspiro[4.5]decan-3-one;dooctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81-hentetracontayne;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne

4-acetylbenzenesulfonyl chloride;8-(4-acetylphenyl)sulfonyl-4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one;1-(4-acetylphenyl)sulfonylpiperidin-4-one;8-(4-acetylphenyl)sulfonyl-1,4,8-triazaspiro[4.5]decan-3-one;dooctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81-hentetracontayne;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne (PubChem CID 157465673) has the molecular formula C272H71ClN7O15S4- and a molecular weight of 3840.31 g/mol. Its IUPAC name is 4-acetylbenzenesulfonyl chloride;8-(4-acetylphenyl)sulfonyl-4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one;1-(4-acetylphenyl)sulfonylpiperidin-4-one;8-(4-acetylphenyl)sulfonyl-1,4,8-triazaspiro[4.5]decan-3-one;dooctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81-hentetracontayne;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne.

Molecular Properties

• Compound Name: 4-acetylbenzenesulfonyl chloride;8-(4-acetylphenyl)sulfonyl-4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one;1-(4-acetylphenyl)sulfonylpiperidin-4-one;8-(4-acetylphenyl)sulfonyl-1,4,8-triazaspiro[4.5]decan-3-one;dooctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81-hentetracontayne;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne
• PubChem CID: 157465673
• Molecular Formula: C272H71ClN7O15S4-
• Molecular Weight: 3840.31 g/mol
• Exact Mass: 3836.36
• IUPAC Name: 4-acetylbenzenesulfonyl chloride;8-(4-acetylphenyl)sulfonyl-4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one;1-(4-acetylphenyl)sulfonylpiperidin-4-one;8-(4-acetylphenyl)sulfonyl-1,4,8-triazaspiro[4.5]decan-3-one;dooctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81-hentetracontayne;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne
• SMILES: C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.CC(=O)c1ccc(S(=O)(=O)Cl)cc1.CC(=O)c1ccc(S(=O)(=O)N2CCC(=O)CC2)cc1.CC(=O)c1ccc(S(=O)(=O)N2CCC3(CC2)NCC(=O)N3)cc1.CC(=O)c1ccc(S(=O)(=O)N2CCC3(CC2)NCC(=O)N3Cc2ccccc2)cc1.[C-]#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C
• InChI: InChI=1S/C82H2.C66H2.C66H.C22H25N3O4S.C15H19N3O4S.C13H15NO4S.C8H7ClO3S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;2*1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-17(26)19-7-9-20(10-8-19)30(28,29)24-13-11-22(12-14-24)23-15-21(27)25(22)16-18-5-3-2-4-6-18;1-11(19)12-2-4-13(5-3-12)23(21,22)18-8-6-15(7-9-18)16-10-14(20)17-15;1-10(15)11-2-4-13(5-3-11)19(17,18)14-8-6-12(16)7-9-14;1-6(10)7-2-4-8(5-3-7)13(9,11)12/h1-2H;1-2H;1H;2-10,23H,11-16H2,1H3;2-5,16H,6-10H2,1H3,(H,17,20);2-5H,6-9H2,1H3;2-5H,1H3/q;;-1
• InChIKey: BULGBMMTOILWMP-UHFFFAOYSA-N
• XLogP: 6.21
• TPSA: 305.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 299
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3840.31
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-acetylbenzenesulfonyl chloride;8-(4-acetylphenyl)sulfonyl-4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one;1-(4-acetylphenyl)sulfonylpiperidin-4-one;8-(4-acetylphenyl)sulfonyl-1,4,8-triazaspiro[4.5]decan-3-one;dooctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81-hentetracontayne;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne?

The IUPAC name of 4-acetylbenzenesulfonyl chloride;8-(4-acetylphenyl)sulfonyl-4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one;1-(4-acetylphenyl)sulfonylpiperidin-4-one;8-(4-acetylphenyl)sulfonyl-1,4,8-triazaspiro[4.5]decan-3-one;dooctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81-hentetracontayne;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne (CID 157465673) is 4-acetylbenzenesulfonyl chloride;8-(4-acetylphenyl)sulfonyl-4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one;1-(4-acetylphenyl)sulfonylpiperidin-4-one;8-(4-acetylphenyl)sulfonyl-1,4,8-triazaspiro[4.5]decan-3-one;dooctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81-hentetracontayne;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne.

What is the SMILES notation for 4-acetylbenzenesulfonyl chloride;8-(4-acetylphenyl)sulfonyl-4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one;1-(4-acetylphenyl)sulfonylpiperidin-4-one;8-(4-acetylphenyl)sulfonyl-1,4,8-triazaspiro[4.5]decan-3-one;dooctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81-hentetracontayne;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne?

The canonical SMILES for 4-acetylbenzenesulfonyl chloride;8-(4-acetylphenyl)sulfonyl-4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one;1-(4-acetylphenyl)sulfonylpiperidin-4-one;8-(4-acetylphenyl)sulfonyl-1,4,8-triazaspiro[4.5]decan-3-one;dooctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81-hentetracontayne;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne is C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.CC(=O)c1ccc(S(=O)(=O)Cl)cc1.CC(=O)c1ccc(S(=O)(=O)N2CCC(=O)CC2)cc1.CC(=O)c1ccc(S(=O)(=O)N2CCC3(CC2)NCC(=O)N3)cc1.CC(=O)c1ccc(S(=O)(=O)N2CCC3(CC2)NCC(=O)N3Cc2ccccc2)cc1.[C-]#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.

What is the InChIKey of 4-acetylbenzenesulfonyl chloride;8-(4-acetylphenyl)sulfonyl-4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one;1-(4-acetylphenyl)sulfonylpiperidin-4-one;8-(4-acetylphenyl)sulfonyl-1,4,8-triazaspiro[4.5]decan-3-one;dooctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81-hentetracontayne;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne?

The InChIKey is BULGBMMTOILWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H2.C66H2.C66H.C22H25N3O4S.C15H19N3O4S.C13H15NO4S.C8H7ClO3S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;2*1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-17(26)19-7-9-20(10-8-19)30(28,29)24-13-11-22(12-14-24)23-15-21(27)25(22)16-18-5-3-2-4-6-18;1-11(19)12-2-4-13(5-3-12)23(21,22)18-8-6-15(7-9-18)16-10-14(20)17-15;1-10(15)11-2-4-13(5-3-11)19(17,18)14-8-6-12(16)7-9-14;1-6(10)7-2-4-8(5-3-7)13(9,11)12/h1-2H;1-2H;1H;2-10,23H,11-16H2,1H3;2-5,16H,6-10H2,1H3,(H,17,20);2-5H,6-9H2,1H3;2-5H,1H3/q;;-1;;;;.

What are the key properties of 4-acetylbenzenesulfonyl chloride;8-(4-acetylphenyl)sulfonyl-4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one;1-(4-acetylphenyl)sulfonylpiperidin-4-one;8-(4-acetylphenyl)sulfonyl-1,4,8-triazaspiro[4.5]decan-3-one;dooctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81-hentetracontayne;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne?

4-acetylbenzenesulfonyl chloride;8-(4-acetylphenyl)sulfonyl-4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one;1-(4-acetylphenyl)sulfonylpiperidin-4-one;8-(4-acetylphenyl)sulfonyl-1,4,8-triazaspiro[4.5]decan-3-one;dooctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81-hentetracontayne;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne has a molecular weight of 3840.31 g/mol, XLogP of 6.21, 13 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-acetylbenzenesulfonyl chloride;8-(4-acetylphenyl)sulfonyl-4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one;1-(4-acetylphenyl)sulfonylpiperidin-4-one;8-(4-acetylphenyl)sulfonyl-1,4,8-triazaspiro[4.5]decan-3-one;dooctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81-hentetracontayne;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne is sourced from PubChem (CID 157465673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).