bis((4-aminophenyl)sulfonyl-octylsulfonylazanide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;dibutyl(phenacyl)sulfanium;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;bis([1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone)

C132H194F18N12O28S16 — CID 159348990

IUPACbis((4-aminophenyl)sulfonyl-octylsulfonylazanide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;dibutyl(phenacyl)sulfanium;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;bis([1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone)
SMILESCC(C)(C)C(=O)C[S+]1CCCC1.CCCCCCCCC([O-])=NS(=O)(=O)c1ccc(CN(C)C)cc1.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1ccc(N)cc1.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1ccc(N)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.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=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1
InChIInChI=1S/C18H30N2O3S.C18H23OS.C16H25OS.2C14H23N2O4S2.2C12H15OS.C10H19OS.2C9H11F9N3O6S3/c1-4-5-6-7-8-9-10-18(21)19-24(22,23)17-13-11-16(12-14-17)15-20(2)3;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;2*1-2-3-4-5-6-7-12-21(17,18)16-22(19,20)14-10-8-13(15)9-11-14;2*13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;1-10(2,3)9(11)8-12-6-4-5-7-12;2*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/h11-14H,4-10,15H2,1-3H3,(H,19,21);4-5,8-11H,2-3,6-7,12-14H2,1H3;7-11H,3-6,12-14H2,1-2H3;2*8-11H,2-7,12,15H2,1H3;2*1-3,6-7H,4-5,8-10H2;4-8H2,1-3H3;2*2-5H2,1H3/q;2*+1;2*-1;3*+1;2*-1/p-1
InChIKeyLHBYRZRSUPTLIN-UHFFFAOYSA-M
MW3252.10 g/mol
LogP26.32
Rot. Bonds67

About bis((4-aminophenyl)sulfonyl-octylsulfonylazanide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;dibutyl(phenacyl)sulfanium;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;bis([1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone)

bis((4-aminophenyl)sulfonyl-octylsulfonylazanide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;dibutyl(phenacyl)sulfanium;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;bis([1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone) (PubChem CID 159348990) has the molecular formula C132H194F18N12O28S16 and a molecular weight of 3252.10 g/mol. Its IUPAC name is bis((4-aminophenyl)sulfonyl-octylsulfonylazanide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;dibutyl(phenacyl)sulfanium;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;bis([1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone).

Molecular Properties

Compound Namebis((4-aminophenyl)sulfonyl-octylsulfonylazanide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;dibutyl(phenacyl)sulfanium;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;bis([1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone)
PubChem CID159348990
Molecular FormulaC132H194F18N12O28S16
Molecular Weight3252.10 g/mol
Exact Mass3248.94
IUPAC Namebis((4-aminophenyl)sulfonyl-octylsulfonylazanide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;dibutyl(phenacyl)sulfanium;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;bis([1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone)
SMILESCC(C)(C)C(=O)C[S+]1CCCC1.CCCCCCCCC([O-])=NS(=O)(=O)c1ccc(CN(C)C)cc1.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1ccc(N)cc1.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1ccc(N)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.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=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1
InChIInChI=1S/C18H30N2O3S.C18H23OS.C16H25OS.2C14H23N2O4S2.2C12H15OS.C10H19OS.2C9H11F9N3O6S3/c1-4-5-6-7-8-9-10-18(21)19-24(22,23)17-13-11-16(12-14-17)15-20(2)3;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;2*1-2-3-4-5-6-7-12-21(17,18)16-22(19,20)14-10-8-13(15)9-11-14;2*13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;1-10(2,3)9(11)8-12-6-4-5-7-12;2*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/h11-14H,4-10,15H2,1-3H3,(H,19,21);4-5,8-11H,2-3,6-7,12-14H2,1H3;7-11H,3-6,12-14H2,1-2H3;2*8-11H,2-7,12,15H2,1H3;2*1-3,6-7H,4-5,8-10H2;4-8H2,1-3H3;2*2-5H2,1H3/q;2*+1;2*-1;3*+1;2*-1/p-1
InChIKeyLHBYRZRSUPTLIN-UHFFFAOYSA-M
XLogP26.32
TPSA613.11 Ų
H-Bond Donors2
H-Bond Acceptors33
Rotatable Bonds67
Heavy Atoms206
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003252.10
LogP ≤ 526.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1033

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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze bis((4-aminophenyl)sulfonyl-octylsulfonylazanide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;dibutyl(phenacyl)sulfanium;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;bis([1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone) with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis((4-aminophenyl)sulfonyl-octylsulfonylazanide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;dibutyl(phenacyl)sulfanium;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;bis([1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone)?
The IUPAC name of bis((4-aminophenyl)sulfonyl-octylsulfonylazanide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;dibutyl(phenacyl)sulfanium;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;bis([1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone) (CID 159348990) is bis((4-aminophenyl)sulfonyl-octylsulfonylazanide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;dibutyl(phenacyl)sulfanium;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;bis([1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone).
What is the SMILES notation for bis((4-aminophenyl)sulfonyl-octylsulfonylazanide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;dibutyl(phenacyl)sulfanium;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;bis([1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone)?
The canonical SMILES for bis((4-aminophenyl)sulfonyl-octylsulfonylazanide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;dibutyl(phenacyl)sulfanium;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;bis([1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone) is CC(C)(C)C(=O)C[S+]1CCCC1.CCCCCCCCC([O-])=NS(=O)(=O)c1ccc(CN(C)C)cc1.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1ccc(N)cc1.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1ccc(N)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.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=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.
What is the InChIKey of bis((4-aminophenyl)sulfonyl-octylsulfonylazanide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;dibutyl(phenacyl)sulfanium;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;bis([1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone)?
The InChIKey is LHBYRZRSUPTLIN-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H30N2O3S.C18H23OS.C16H25OS.2C14H23N2O4S2.2C12H15OS.C10H19OS.2C9H11F9N3O6S3/c1-4-5-6-7-8-9-10-18(21)19-24(22,23)17-13-11-16(12-14-17)15-20(2)3;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;2*1-2-3-4-5-6-7-12-21(17,18)16-22(19,20)14-10-8-13(15)9-11-14;2*13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;1-10(2,3)9(11)8-12-6-4-5-7-12;2*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/h11-14H,4-10,15H2,1-3H3,(H,19,21);4-5,8-11H,2-3,6-7,12-14H2,1H3;7-11H,3-6,12-14H2,1-2H3;2*8-11H,2-7,12,15H2,1H3;2*1-3,6-7H,4-5,8-10H2;4-8H2,1-3H3;2*2-5H2,1H3/q;2*+1;2*-1;3*+1;2*-1/p-1.
What are the key properties of bis((4-aminophenyl)sulfonyl-octylsulfonylazanide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;dibutyl(phenacyl)sulfanium;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;bis([1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone)?
bis((4-aminophenyl)sulfonyl-octylsulfonylazanide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;dibutyl(phenacyl)sulfanium;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;bis([1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone) has a molecular weight of 3252.10 g/mol, XLogP of 26.32, 67 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for bis((4-aminophenyl)sulfonyl-octylsulfonylazanide);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;dibutyl(phenacyl)sulfanium;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;bis([1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone) is sourced from PubChem (CID 159348990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).