(8-aminonaphthalen-1-yl)sulfonyl-octylsulfonylazanide;bis(N-(4-aminophenyl)sulfonylethanimidate);N-(4-aminophenyl)sulfonylnonanimidate;(4-butoxyphenyl)-diphenylsulfanium;(4-tert-butylphenyl)sulfanium;(4-carboxyphenyl)-diphenylsulfanium;tris((4-cyclohexylphenyl)-diphenylsulfanium);4-(dimethylamino)butylsulfonyl-octylsulfonylazanide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate

C204H254N12O23S14 — CID 161112502

About (8-aminonaphthalen-1-yl)sulfonyl-octylsulfonylazanide;bis(N-(4-aminophenyl)sulfonylethanimidate);N-(4-aminophenyl)sulfonylnonanimidate;(4-butoxyphenyl)-diphenylsulfanium;(4-tert-butylphenyl)sulfanium;(4-carboxyphenyl)-diphenylsulfanium;tris((4-cyclohexylphenyl)-diphenylsulfanium);4-(dimethylamino)butylsulfonyl-octylsulfonylazanide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate

(8-aminonaphthalen-1-yl)sulfonyl-octylsulfonylazanide;bis(N-(4-aminophenyl)sulfonylethanimidate);N-(4-aminophenyl)sulfonylnonanimidate;(4-butoxyphenyl)-diphenylsulfanium;(4-tert-butylphenyl)sulfanium;(4-carboxyphenyl)-diphenylsulfanium;tris((4-cyclohexylphenyl)-diphenylsulfanium);4-(dimethylamino)butylsulfonyl-octylsulfonylazanide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate (PubChem CID 161112502) has the molecular formula C204H254N12O23S14 and a molecular weight of 3691.27 g/mol. Its IUPAC name is (8-aminonaphthalen-1-yl)sulfonyl-octylsulfonylazanide;bis(N-(4-aminophenyl)sulfonylethanimidate);N-(4-aminophenyl)sulfonylnonanimidate;(4-butoxyphenyl)-diphenylsulfanium;(4-tert-butylphenyl)sulfanium;(4-carboxyphenyl)-diphenylsulfanium;tris((4-cyclohexylphenyl)-diphenylsulfanium);4-(dimethylamino)butylsulfonyl-octylsulfonylazanide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate.

Molecular Properties

• Compound Name: (8-aminonaphthalen-1-yl)sulfonyl-octylsulfonylazanide;bis(N-(4-aminophenyl)sulfonylethanimidate);N-(4-aminophenyl)sulfonylnonanimidate;(4-butoxyphenyl)-diphenylsulfanium;(4-tert-butylphenyl)sulfanium;(4-carboxyphenyl)-diphenylsulfanium;tris((4-cyclohexylphenyl)-diphenylsulfanium);4-(dimethylamino)butylsulfonyl-octylsulfonylazanide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate
• PubChem CID: 161112502
• Molecular Formula: C204H254N12O23S14
• Molecular Weight: 3691.27 g/mol
• Exact Mass: 3687.52
• IUPAC Name: (8-aminonaphthalen-1-yl)sulfonyl-octylsulfonylazanide;bis(N-(4-aminophenyl)sulfonylethanimidate);N-(4-aminophenyl)sulfonylnonanimidate;(4-butoxyphenyl)-diphenylsulfanium;(4-tert-butylphenyl)sulfanium;(4-carboxyphenyl)-diphenylsulfanium;tris((4-cyclohexylphenyl)-diphenylsulfanium);4-(dimethylamino)butylsulfonyl-octylsulfonylazanide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate
• SMILES: CC(C)(C)c1ccc([SH2+])cc1.CC([O-])=NS(=O)(=O)c1ccc(N)cc1.CC([O-])=NS(=O)(=O)c1ccc(N)cc1.CCCCCCCCC([O-])=NS(=O)(=O)c1ccc(CN(C)C)cc1.CCCCCCCCC([O-])=NS(=O)(=O)c1ccc(N)cc1.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)CCCCN(C)C.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1cccc2cccc(N)c12.CCCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(O)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1
• InChI: InChI=1S/3C24H25S.C22H23OS.C19H14O2S.C18H25N2O4S2.C18H30N2O3S.C15H24N2O3S.C14H31N2O4S2.C10H14S.2C8H10N2O3S/c3*1-4-10-20(11-5-1)21-16-18-24(19-17-21)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23;1-2-3-18-23-19-14-16-22(17-15-19)24(20-10-6-4-7-11-20)21-12-8-5-9-13-21;20-19(21)15-11-13-18(14-12-15)22(16-7-3-1-4-8-16)17-9-5-2-6-10-17;1-2-3-4-5-6-7-14-25(21,22)20-26(23,24)17-13-9-11-15-10-8-12-16(19)18(15)17;1-4-5-6-7-8-9-10-18(21)19-24(22,23)17-13-11-16(12-14-17)15-20(2)3;1-2-3-4-5-6-7-8-15(18)17-21(19,20)14-11-9-13(16)10-12-14;1-4-5-6-7-8-10-13-21(17,18)15-22(19,20)14-11-9-12-16(2)3;1-10(2,3)8-4-6-9(11)7-5-8;2*1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h3*2-3,6-9,12-20H,1,4-5,10-11H2;4-17H,2-3,18H2,1H3;1-14H;8-13H,2-7,14,19H2,1H3;11-14H,4-10,15H2,1-3H3,(H,19,21);9-12H,2-8,16H2,1H3,(H,17,18);4-14H2,1-3H3;4-7,11H,1-3H3;2*2-5H,9H2,1H3,(H,10,11)/q4*+1;;-1;;;-1;;;/p-2
• InChIKey: UJWMYPRGQUYLTI-UHFFFAOYSA-L
• XLogP: 45.07
• TPSA: 600.09 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 71
• Heavy Atoms: 253
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3691.27
LogP ≤ 5	45.07
H-Bond Donors ≤ 5	5
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (8-aminonaphthalen-1-yl)sulfonyl-octylsulfonylazanide;bis(N-(4-aminophenyl)sulfonylethanimidate);N-(4-aminophenyl)sulfonylnonanimidate;(4-butoxyphenyl)-diphenylsulfanium;(4-tert-butylphenyl)sulfanium;(4-carboxyphenyl)-diphenylsulfanium;tris((4-cyclohexylphenyl)-diphenylsulfanium);4-(dimethylamino)butylsulfonyl-octylsulfonylazanide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate?

The IUPAC name of (8-aminonaphthalen-1-yl)sulfonyl-octylsulfonylazanide;bis(N-(4-aminophenyl)sulfonylethanimidate);N-(4-aminophenyl)sulfonylnonanimidate;(4-butoxyphenyl)-diphenylsulfanium;(4-tert-butylphenyl)sulfanium;(4-carboxyphenyl)-diphenylsulfanium;tris((4-cyclohexylphenyl)-diphenylsulfanium);4-(dimethylamino)butylsulfonyl-octylsulfonylazanide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate (CID 161112502) is (8-aminonaphthalen-1-yl)sulfonyl-octylsulfonylazanide;bis(N-(4-aminophenyl)sulfonylethanimidate);N-(4-aminophenyl)sulfonylnonanimidate;(4-butoxyphenyl)-diphenylsulfanium;(4-tert-butylphenyl)sulfanium;(4-carboxyphenyl)-diphenylsulfanium;tris((4-cyclohexylphenyl)-diphenylsulfanium);4-(dimethylamino)butylsulfonyl-octylsulfonylazanide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate.

What is the SMILES notation for (8-aminonaphthalen-1-yl)sulfonyl-octylsulfonylazanide;bis(N-(4-aminophenyl)sulfonylethanimidate);N-(4-aminophenyl)sulfonylnonanimidate;(4-butoxyphenyl)-diphenylsulfanium;(4-tert-butylphenyl)sulfanium;(4-carboxyphenyl)-diphenylsulfanium;tris((4-cyclohexylphenyl)-diphenylsulfanium);4-(dimethylamino)butylsulfonyl-octylsulfonylazanide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate?

The canonical SMILES for (8-aminonaphthalen-1-yl)sulfonyl-octylsulfonylazanide;bis(N-(4-aminophenyl)sulfonylethanimidate);N-(4-aminophenyl)sulfonylnonanimidate;(4-butoxyphenyl)-diphenylsulfanium;(4-tert-butylphenyl)sulfanium;(4-carboxyphenyl)-diphenylsulfanium;tris((4-cyclohexylphenyl)-diphenylsulfanium);4-(dimethylamino)butylsulfonyl-octylsulfonylazanide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate is CC(C)(C)c1ccc([SH2+])cc1.CC([O-])=NS(=O)(=O)c1ccc(N)cc1.CC([O-])=NS(=O)(=O)c1ccc(N)cc1.CCCCCCCCC([O-])=NS(=O)(=O)c1ccc(CN(C)C)cc1.CCCCCCCCC([O-])=NS(=O)(=O)c1ccc(N)cc1.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)CCCCN(C)C.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1cccc2cccc(N)c12.CCCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(O)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1.

What is the InChIKey of (8-aminonaphthalen-1-yl)sulfonyl-octylsulfonylazanide;bis(N-(4-aminophenyl)sulfonylethanimidate);N-(4-aminophenyl)sulfonylnonanimidate;(4-butoxyphenyl)-diphenylsulfanium;(4-tert-butylphenyl)sulfanium;(4-carboxyphenyl)-diphenylsulfanium;tris((4-cyclohexylphenyl)-diphenylsulfanium);4-(dimethylamino)butylsulfonyl-octylsulfonylazanide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate?

The InChIKey is UJWMYPRGQUYLTI-UHFFFAOYSA-L. The full InChI is InChI=1S/3C24H25S.C22H23OS.C19H14O2S.C18H25N2O4S2.C18H30N2O3S.C15H24N2O3S.C14H31N2O4S2.C10H14S.2C8H10N2O3S/c3*1-4-10-20(11-5-1)21-16-18-24(19-17-21)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23;1-2-3-18-23-19-14-16-22(17-15-19)24(20-10-6-4-7-11-20)21-12-8-5-9-13-21;20-19(21)15-11-13-18(14-12-15)22(16-7-3-1-4-8-16)17-9-5-2-6-10-17;1-2-3-4-5-6-7-14-25(21,22)20-26(23,24)17-13-9-11-15-10-8-12-16(19)18(15)17;1-4-5-6-7-8-9-10-18(21)19-24(22,23)17-13-11-16(12-14-17)15-20(2)3;1-2-3-4-5-6-7-8-15(18)17-21(19,20)14-11-9-13(16)10-12-14;1-4-5-6-7-8-10-13-21(17,18)15-22(19,20)14-11-9-12-16(2)3;1-10(2,3)8-4-6-9(11)7-5-8;2*1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h3*2-3,6-9,12-20H,1,4-5,10-11H2;4-17H,2-3,18H2,1H3;1-14H;8-13H,2-7,14,19H2,1H3;11-14H,4-10,15H2,1-3H3,(H,19,21);9-12H,2-8,16H2,1H3,(H,17,18);4-14H2,1-3H3;4-7,11H,1-3H3;2*2-5H,9H2,1H3,(H,10,11)/q4*+1;;-1;;;-1;;;/p-2.

What are the key properties of (8-aminonaphthalen-1-yl)sulfonyl-octylsulfonylazanide;bis(N-(4-aminophenyl)sulfonylethanimidate);N-(4-aminophenyl)sulfonylnonanimidate;(4-butoxyphenyl)-diphenylsulfanium;(4-tert-butylphenyl)sulfanium;(4-carboxyphenyl)-diphenylsulfanium;tris((4-cyclohexylphenyl)-diphenylsulfanium);4-(dimethylamino)butylsulfonyl-octylsulfonylazanide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate?

(8-aminonaphthalen-1-yl)sulfonyl-octylsulfonylazanide;bis(N-(4-aminophenyl)sulfonylethanimidate);N-(4-aminophenyl)sulfonylnonanimidate;(4-butoxyphenyl)-diphenylsulfanium;(4-tert-butylphenyl)sulfanium;(4-carboxyphenyl)-diphenylsulfanium;tris((4-cyclohexylphenyl)-diphenylsulfanium);4-(dimethylamino)butylsulfonyl-octylsulfonylazanide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate has a molecular weight of 3691.27 g/mol, XLogP of 45.07, 71 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (8-aminonaphthalen-1-yl)sulfonyl-octylsulfonylazanide;bis(N-(4-aminophenyl)sulfonylethanimidate);N-(4-aminophenyl)sulfonylnonanimidate;(4-butoxyphenyl)-diphenylsulfanium;(4-tert-butylphenyl)sulfanium;(4-carboxyphenyl)-diphenylsulfanium;tris((4-cyclohexylphenyl)-diphenylsulfanium);4-(dimethylamino)butylsulfonyl-octylsulfonylazanide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate is sourced from PubChem (CID 161112502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).