(4-aminophenyl)sulfonyl-octylsulfonylazanide;bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);dibutyl(phenacyl)sulfanium;ethyl-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]azanide;ethyl-[5-[4-(2-oxopropyl)piperazin-1-yl]pentyl]azanide;1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide;1-methyl-3-(thiolan-1-ium-1-yl)indole;octylsulfonyl-(4-pyrrolidin-1-ylphenyl)sulfonylazanide;1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one

C156H227F10N14O19S13+ — CID 158295155

About (4-aminophenyl)sulfonyl-octylsulfonylazanide;bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);dibutyl(phenacyl)sulfanium;ethyl-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]azanide;ethyl-[5-[4-(2-oxopropyl)piperazin-1-yl]pentyl]azanide;1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide;1-methyl-3-(thiolan-1-ium-1-yl)indole;octylsulfonyl-(4-pyrrolidin-1-ylphenyl)sulfonylazanide;1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one

(4-aminophenyl)sulfonyl-octylsulfonylazanide;bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);dibutyl(phenacyl)sulfanium;ethyl-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]azanide;ethyl-[5-[4-(2-oxopropyl)piperazin-1-yl]pentyl]azanide;1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide;1-methyl-3-(thiolan-1-ium-1-yl)indole;octylsulfonyl-(4-pyrrolidin-1-ylphenyl)sulfonylazanide;1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one (PubChem CID 158295155) has the molecular formula C156H227F10N14O19S13+ and a molecular weight of 3209.46 g/mol. Its IUPAC name is (4-aminophenyl)sulfonyl-octylsulfonylazanide;bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);dibutyl(phenacyl)sulfanium;ethyl-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]azanide;ethyl-[5-[4-(2-oxopropyl)piperazin-1-yl]pentyl]azanide;1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide;1-methyl-3-(thiolan-1-ium-1-yl)indole;octylsulfonyl-(4-pyrrolidin-1-ylphenyl)sulfonylazanide;1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one.

Molecular Properties

• Compound Name: (4-aminophenyl)sulfonyl-octylsulfonylazanide;bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);dibutyl(phenacyl)sulfanium;ethyl-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]azanide;ethyl-[5-[4-(2-oxopropyl)piperazin-1-yl]pentyl]azanide;1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide;1-methyl-3-(thiolan-1-ium-1-yl)indole;octylsulfonyl-(4-pyrrolidin-1-ylphenyl)sulfonylazanide;1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one
• PubChem CID: 158295155
• Molecular Formula: C156H227F10N14O19S13+
• Molecular Weight: 3209.46 g/mol
• Exact Mass: 3206.34
• IUPAC Name: (4-aminophenyl)sulfonyl-octylsulfonylazanide;bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);dibutyl(phenacyl)sulfanium;ethyl-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]azanide;ethyl-[5-[4-(2-oxopropyl)piperazin-1-yl]pentyl]azanide;1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide;1-methyl-3-(thiolan-1-ium-1-yl)indole;octylsulfonyl-(4-pyrrolidin-1-ylphenyl)sulfonylazanide;1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one
• SMILES: CC(C(=O)c1ccc(Sc2ccccc2)cc1)[S+]1CCCC1.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1ccc(N)cc1.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1ccc(N2CCCC2)cc1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCCC[S+](CCCC)CC(=O)c1ccccc1.CC[N-]CCCCCN1CCN(CC(C)=O)CC1.CC[N-]CCCCCN1CCN(c2ccc(F)cc2)CC1.CN1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F)CC1.Cn1cc([S+]2CCCC2)c2ccccc21
• InChI: InChI=1S/C19H21OS2.C18H29N2O4S2.2C18H23OS.C17H27FN3.C16H25OS.C14H28N3O.C14H23N2O4S2.C13H16NS.C9H12F9N3O6S3/c1-15(22-13-5-6-14-22)19(20)16-9-11-18(12-10-16)21-17-7-3-2-4-8-17;1-2-3-4-5-6-9-16-25(21,22)19-26(23,24)18-12-10-17(11-13-18)20-14-7-8-15-20;2*1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;1-2-19-10-4-3-5-11-20-12-14-21(15-13-20)17-8-6-16(18)7-9-17;1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15;1-3-15-7-5-4-6-8-16-9-11-17(12-10-16)13-14(2)18;1-2-3-4-5-6-7-12-21(17,18)16-22(19,20)14-10-8-13(15)9-11-14;1-14-10-13(15-8-4-5-9-15)11-6-2-3-7-12(11)14;1-20-2-4-21(5-3-20)30(26,27)8(14,15)6(10,11)7(12,13)28(22,23)19-29(24,25)9(16,17)18/h2-4,7-12,15H,5-6,13-14H2,1H3;10-13H,2-9,14-16H2,1H3;2*4-5,8-11H,2-3,6-7,12-14H2,1H3;6-9H,2-5,10-15H2,1H3;7-11H,3-6,12-14H2,1-2H3;3-13H2,1-2H3;8-11H,2-7,12,15H2,1H3;2-3,6-7,10H,4-5,8-9H2,1H3;19H,2-5H2,1H3/q+1;-1;2*+1;-1;+1;2*-1;+1
• InChIKey: GLVAPOOPHLJMAP-UHFFFAOYSA-N
• XLogP: 33.92
• TPSA: 430.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 70
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3209.46
LogP ≤ 5	33.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)sulfonyl-octylsulfonylazanide;bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);dibutyl(phenacyl)sulfanium;ethyl-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]azanide;ethyl-[5-[4-(2-oxopropyl)piperazin-1-yl]pentyl]azanide;1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide;1-methyl-3-(thiolan-1-ium-1-yl)indole;octylsulfonyl-(4-pyrrolidin-1-ylphenyl)sulfonylazanide;1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one?

The IUPAC name of (4-aminophenyl)sulfonyl-octylsulfonylazanide;bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);dibutyl(phenacyl)sulfanium;ethyl-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]azanide;ethyl-[5-[4-(2-oxopropyl)piperazin-1-yl]pentyl]azanide;1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide;1-methyl-3-(thiolan-1-ium-1-yl)indole;octylsulfonyl-(4-pyrrolidin-1-ylphenyl)sulfonylazanide;1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one (CID 158295155) is (4-aminophenyl)sulfonyl-octylsulfonylazanide;bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);dibutyl(phenacyl)sulfanium;ethyl-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]azanide;ethyl-[5-[4-(2-oxopropyl)piperazin-1-yl]pentyl]azanide;1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide;1-methyl-3-(thiolan-1-ium-1-yl)indole;octylsulfonyl-(4-pyrrolidin-1-ylphenyl)sulfonylazanide;1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one.

What is the SMILES notation for (4-aminophenyl)sulfonyl-octylsulfonylazanide;bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);dibutyl(phenacyl)sulfanium;ethyl-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]azanide;ethyl-[5-[4-(2-oxopropyl)piperazin-1-yl]pentyl]azanide;1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide;1-methyl-3-(thiolan-1-ium-1-yl)indole;octylsulfonyl-(4-pyrrolidin-1-ylphenyl)sulfonylazanide;1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one?

The canonical SMILES for (4-aminophenyl)sulfonyl-octylsulfonylazanide;bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);dibutyl(phenacyl)sulfanium;ethyl-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]azanide;ethyl-[5-[4-(2-oxopropyl)piperazin-1-yl]pentyl]azanide;1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide;1-methyl-3-(thiolan-1-ium-1-yl)indole;octylsulfonyl-(4-pyrrolidin-1-ylphenyl)sulfonylazanide;1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one is CC(C(=O)c1ccc(Sc2ccccc2)cc1)[S+]1CCCC1.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1ccc(N)cc1.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1ccc(N2CCCC2)cc1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCCC[S+](CCCC)CC(=O)c1ccccc1.CC[N-]CCCCCN1CCN(CC(C)=O)CC1.CC[N-]CCCCCN1CCN(c2ccc(F)cc2)CC1.CN1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F)CC1.Cn1cc([S+]2CCCC2)c2ccccc21.

What is the InChIKey of (4-aminophenyl)sulfonyl-octylsulfonylazanide;bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);dibutyl(phenacyl)sulfanium;ethyl-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]azanide;ethyl-[5-[4-(2-oxopropyl)piperazin-1-yl]pentyl]azanide;1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide;1-methyl-3-(thiolan-1-ium-1-yl)indole;octylsulfonyl-(4-pyrrolidin-1-ylphenyl)sulfonylazanide;1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one?

The InChIKey is GLVAPOOPHLJMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21OS2.C18H29N2O4S2.2C18H23OS.C17H27FN3.C16H25OS.C14H28N3O.C14H23N2O4S2.C13H16NS.C9H12F9N3O6S3/c1-15(22-13-5-6-14-22)19(20)16-9-11-18(12-10-16)21-17-7-3-2-4-8-17;1-2-3-4-5-6-9-16-25(21,22)19-26(23,24)18-12-10-17(11-13-18)20-14-7-8-15-20;2*1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;1-2-19-10-4-3-5-11-20-12-14-21(15-13-20)17-8-6-16(18)7-9-17;1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15;1-3-15-7-5-4-6-8-16-9-11-17(12-10-16)13-14(2)18;1-2-3-4-5-6-7-12-21(17,18)16-22(19,20)14-10-8-13(15)9-11-14;1-14-10-13(15-8-4-5-9-15)11-6-2-3-7-12(11)14;1-20-2-4-21(5-3-20)30(26,27)8(14,15)6(10,11)7(12,13)28(22,23)19-29(24,25)9(16,17)18/h2-4,7-12,15H,5-6,13-14H2,1H3;10-13H,2-9,14-16H2,1H3;2*4-5,8-11H,2-3,6-7,12-14H2,1H3;6-9H,2-5,10-15H2,1H3;7-11H,3-6,12-14H2,1-2H3;3-13H2,1-2H3;8-11H,2-7,12,15H2,1H3;2-3,6-7,10H,4-5,8-9H2,1H3;19H,2-5H2,1H3/q+1;-1;2*+1;-1;+1;2*-1;+1;.

What are the key properties of (4-aminophenyl)sulfonyl-octylsulfonylazanide;bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);dibutyl(phenacyl)sulfanium;ethyl-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]azanide;ethyl-[5-[4-(2-oxopropyl)piperazin-1-yl]pentyl]azanide;1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide;1-methyl-3-(thiolan-1-ium-1-yl)indole;octylsulfonyl-(4-pyrrolidin-1-ylphenyl)sulfonylazanide;1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one?

(4-aminophenyl)sulfonyl-octylsulfonylazanide;bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);dibutyl(phenacyl)sulfanium;ethyl-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]azanide;ethyl-[5-[4-(2-oxopropyl)piperazin-1-yl]pentyl]azanide;1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide;1-methyl-3-(thiolan-1-ium-1-yl)indole;octylsulfonyl-(4-pyrrolidin-1-ylphenyl)sulfonylazanide;1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one has a molecular weight of 3209.46 g/mol, XLogP of 33.92, 70 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (4-aminophenyl)sulfonyl-octylsulfonylazanide;bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);dibutyl(phenacyl)sulfanium;ethyl-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]azanide;ethyl-[5-[4-(2-oxopropyl)piperazin-1-yl]pentyl]azanide;1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide;1-methyl-3-(thiolan-1-ium-1-yl)indole;octylsulfonyl-(4-pyrrolidin-1-ylphenyl)sulfonylazanide;1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one is sourced from PubChem (CID 158295155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).