(4-aminophenyl)sulfonyl-octylsulfonylazanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-[4-(cyclooctylmethoxy)naphthalen-1-yl]thiolan-1-ium;dibutyl(phenacyl)sulfanium;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-methyl-4-pentylpiperazine;piperidine-4-sulfonate

C114H172F9N8O17S10+ — CID 159382217

IUPAC(4-aminophenyl)sulfonyl-octylsulfonylazanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-[4-(cyclooctylmethoxy)naphthalen-1-yl]thiolan-1-ium;dibutyl(phenacyl)sulfanium;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-methyl-4-pentylpiperazine;piperidine-4-sulfonate
SMILESCC(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1ccc(N)cc1.CCCCCN1CCN(C)CC1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCCC[S+](CCCC)CC(=O)c1ccccc1.CN1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)CC1.O=S(=O)([O-])C1CCNCC1.c1ccc2c([S+]3CCCC3)ccc(OCC3CCCCCCC3)c2c1
InChIInChI=1S/C23H31OS.C19H27OS.C18H23OS.C16H25OS.C14H23N2O4S2.C10H22N2.C9H11F9N3O6S3.C5H11NO3S/c1-2-4-10-19(11-5-3-1)18-24-22-14-15-23(25-16-8-9-17-25)21-13-7-6-12-20(21)22;1-15(21-13-5-6-14-21)19(20)18-11-9-17(10-12-18)16-7-3-2-4-8-16;1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15;1-2-3-4-5-6-7-12-21(17,18)16-22(19,20)14-10-8-13(15)9-11-14;1-3-4-5-6-12-9-7-11(2)8-10-12;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;7-10(8,9)5-1-3-6-4-2-5/h6-7,12-15,19H,1-5,8-11,16-18H2;9-12,15-16H,2-8,13-14H2,1H3;4-5,8-11H,2-3,6-7,12-14H2,1H3;7-11H,3-6,12-14H2,1-2H3;8-11H,2-7,12,15H2,1H3;3-10H2,1-2H3;2-5H2,1H3;5-6H,1-4H2,(H,7,8,9)/q4*+1;-1;;-1;/p-1
InChIKeyLLBCJNJXQBZKGH-UHFFFAOYSA-M
MW2418.32 g/mol
LogP24.61
Rot. Bonds44

About (4-aminophenyl)sulfonyl-octylsulfonylazanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-[4-(cyclooctylmethoxy)naphthalen-1-yl]thiolan-1-ium;dibutyl(phenacyl)sulfanium;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-methyl-4-pentylpiperazine;piperidine-4-sulfonate

(4-aminophenyl)sulfonyl-octylsulfonylazanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-[4-(cyclooctylmethoxy)naphthalen-1-yl]thiolan-1-ium;dibutyl(phenacyl)sulfanium;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-methyl-4-pentylpiperazine;piperidine-4-sulfonate (PubChem CID 159382217) has the molecular formula C114H172F9N8O17S10+ and a molecular weight of 2418.32 g/mol. Its IUPAC name is (4-aminophenyl)sulfonyl-octylsulfonylazanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-[4-(cyclooctylmethoxy)naphthalen-1-yl]thiolan-1-ium;dibutyl(phenacyl)sulfanium;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-methyl-4-pentylpiperazine;piperidine-4-sulfonate.

Molecular Properties

Compound Name(4-aminophenyl)sulfonyl-octylsulfonylazanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-[4-(cyclooctylmethoxy)naphthalen-1-yl]thiolan-1-ium;dibutyl(phenacyl)sulfanium;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-methyl-4-pentylpiperazine;piperidine-4-sulfonate
PubChem CID159382217
Molecular FormulaC114H172F9N8O17S10+
Molecular Weight2418.32 g/mol
Exact Mass2415.99
IUPAC Name(4-aminophenyl)sulfonyl-octylsulfonylazanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-[4-(cyclooctylmethoxy)naphthalen-1-yl]thiolan-1-ium;dibutyl(phenacyl)sulfanium;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-methyl-4-pentylpiperazine;piperidine-4-sulfonate
SMILESCC(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1ccc(N)cc1.CCCCCN1CCN(C)CC1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCCC[S+](CCCC)CC(=O)c1ccccc1.CN1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)CC1.O=S(=O)([O-])C1CCNCC1.c1ccc2c([S+]3CCCC3)ccc(OCC3CCCCCCC3)c2c1
InChIInChI=1S/C23H31OS.C19H27OS.C18H23OS.C16H25OS.C14H23N2O4S2.C10H22N2.C9H11F9N3O6S3.C5H11NO3S/c1-2-4-10-19(11-5-3-1)18-24-22-14-15-23(25-16-8-9-17-25)21-13-7-6-12-20(21)22;1-15(21-13-5-6-14-21)19(20)18-11-9-17(10-12-18)16-7-3-2-4-8-16;1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15;1-2-3-4-5-6-7-12-21(17,18)16-22(19,20)14-10-8-13(15)9-11-14;1-3-4-5-6-12-9-7-11(2)8-10-12;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;7-10(8,9)5-1-3-6-4-2-5/h6-7,12-15,19H,1-5,8-11,16-18H2;9-12,15-16H,2-8,13-14H2,1H3;4-5,8-11H,2-3,6-7,12-14H2,1H3;7-11H,3-6,12-14H2,1-2H3;8-11H,2-7,12,15H2,1H3;3-10H2,1-2H3;2-5H2,1H3;5-6H,1-4H2,(H,7,8,9)/q4*+1;-1;;-1;/p-1
InChIKeyLLBCJNJXQBZKGH-UHFFFAOYSA-M
XLogP24.61
TPSA359.71 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds44
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002418.32
LogP ≤ 524.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

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'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze (4-aminophenyl)sulfonyl-octylsulfonylazanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-[4-(cyclooctylmethoxy)naphthalen-1-yl]thiolan-1-ium;dibutyl(phenacyl)sulfanium;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-methyl-4-pentylpiperazine;piperidine-4-sulfonate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)sulfonyl-octylsulfonylazanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-[4-(cyclooctylmethoxy)naphthalen-1-yl]thiolan-1-ium;dibutyl(phenacyl)sulfanium;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-methyl-4-pentylpiperazine;piperidine-4-sulfonate?
The IUPAC name of (4-aminophenyl)sulfonyl-octylsulfonylazanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-[4-(cyclooctylmethoxy)naphthalen-1-yl]thiolan-1-ium;dibutyl(phenacyl)sulfanium;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-methyl-4-pentylpiperazine;piperidine-4-sulfonate (CID 159382217) is (4-aminophenyl)sulfonyl-octylsulfonylazanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-[4-(cyclooctylmethoxy)naphthalen-1-yl]thiolan-1-ium;dibutyl(phenacyl)sulfanium;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-methyl-4-pentylpiperazine;piperidine-4-sulfonate.
What is the SMILES notation for (4-aminophenyl)sulfonyl-octylsulfonylazanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-[4-(cyclooctylmethoxy)naphthalen-1-yl]thiolan-1-ium;dibutyl(phenacyl)sulfanium;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-methyl-4-pentylpiperazine;piperidine-4-sulfonate?
The canonical SMILES for (4-aminophenyl)sulfonyl-octylsulfonylazanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-[4-(cyclooctylmethoxy)naphthalen-1-yl]thiolan-1-ium;dibutyl(phenacyl)sulfanium;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-methyl-4-pentylpiperazine;piperidine-4-sulfonate is CC(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1ccc(N)cc1.CCCCCN1CCN(C)CC1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCCC[S+](CCCC)CC(=O)c1ccccc1.CN1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)CC1.O=S(=O)([O-])C1CCNCC1.c1ccc2c([S+]3CCCC3)ccc(OCC3CCCCCCC3)c2c1.
What is the InChIKey of (4-aminophenyl)sulfonyl-octylsulfonylazanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-[4-(cyclooctylmethoxy)naphthalen-1-yl]thiolan-1-ium;dibutyl(phenacyl)sulfanium;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-methyl-4-pentylpiperazine;piperidine-4-sulfonate?
The InChIKey is LLBCJNJXQBZKGH-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H31OS.C19H27OS.C18H23OS.C16H25OS.C14H23N2O4S2.C10H22N2.C9H11F9N3O6S3.C5H11NO3S/c1-2-4-10-19(11-5-3-1)18-24-22-14-15-23(25-16-8-9-17-25)21-13-7-6-12-20(21)22;1-15(21-13-5-6-14-21)19(20)18-11-9-17(10-12-18)16-7-3-2-4-8-16;1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15;1-2-3-4-5-6-7-12-21(17,18)16-22(19,20)14-10-8-13(15)9-11-14;1-3-4-5-6-12-9-7-11(2)8-10-12;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;7-10(8,9)5-1-3-6-4-2-5/h6-7,12-15,19H,1-5,8-11,16-18H2;9-12,15-16H,2-8,13-14H2,1H3;4-5,8-11H,2-3,6-7,12-14H2,1H3;7-11H,3-6,12-14H2,1-2H3;8-11H,2-7,12,15H2,1H3;3-10H2,1-2H3;2-5H2,1H3;5-6H,1-4H2,(H,7,8,9)/q4*+1;-1;;-1;/p-1.
What are the key properties of (4-aminophenyl)sulfonyl-octylsulfonylazanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-[4-(cyclooctylmethoxy)naphthalen-1-yl]thiolan-1-ium;dibutyl(phenacyl)sulfanium;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-methyl-4-pentylpiperazine;piperidine-4-sulfonate?
(4-aminophenyl)sulfonyl-octylsulfonylazanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-[4-(cyclooctylmethoxy)naphthalen-1-yl]thiolan-1-ium;dibutyl(phenacyl)sulfanium;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-methyl-4-pentylpiperazine;piperidine-4-sulfonate has a molecular weight of 2418.32 g/mol, XLogP of 24.61, 44 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)sulfonyl-octylsulfonylazanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-[4-(cyclooctylmethoxy)naphthalen-1-yl]thiolan-1-ium;dibutyl(phenacyl)sulfanium;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-methyl-4-pentylpiperazine;piperidine-4-sulfonate is sourced from PubChem (CID 159382217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).