bis(N-(4-aminophenyl)sulfonylacetamide);N-(4-aminophenyl)sulfonylnonanamide;(4-tert-butylphenyl)sulfanium;carbon dioxide;bis((4-cyclohexylphenyl)-diphenylsulfanium);N-[4-(dimethylamino)butylsulfonyl]octane-1-sulfonamide;methane;(4-methylphenyl)-diphenylsulfanium;triphenylsulfanium

C143H181N8O15S10+5 — CID 158548258

IUPACbis(N-(4-aminophenyl)sulfonylacetamide);N-(4-aminophenyl)sulfonylnonanamide;(4-tert-butylphenyl)sulfanium;carbon dioxide;bis((4-cyclohexylphenyl)-diphenylsulfanium);N-[4-(dimethylamino)butylsulfonyl]octane-1-sulfonamide;methane;(4-methylphenyl)-diphenylsulfanium;triphenylsulfanium
SMILESC.C.CC(=O)NS(=O)(=O)c1ccc(N)cc1.CC(=O)NS(=O)(=O)c1ccc(N)cc1.CC(C)(C)c1ccc([SH2+])cc1.CCCCCCCCC(=O)NS(=O)(=O)c1ccc(N)cc1.CCCCCCCCS(=O)(=O)NS(=O)(=O)CCCCN(C)C.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C=O.c1ccc([S+](c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C24H25S.C19H17S.C18H15S.C15H24N2O3S.C14H32N2O4S2.C10H14S.2C8H10N2O3S.CO2.2CH4/c2*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;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;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;2-1-3;;/h2*2-3,6-9,12-20H,1,4-5,10-11H2;2-15H,1H3;1-15H;9-12H,2-8,16H2,1H3,(H,17,18);15H,4-14H2,1-3H3;4-7,11H,1-3H3;2*2-5H,9H2,1H3,(H,10,11);;2*1H4/q4*+1;;;;;;;;/p+1
InChIKeyHPJYWMYDSFHIJU-UHFFFAOYSA-O
MW2572.73 g/mol
LogP31.52
Rot. Bonds41

About bis(N-(4-aminophenyl)sulfonylacetamide);N-(4-aminophenyl)sulfonylnonanamide;(4-tert-butylphenyl)sulfanium;carbon dioxide;bis((4-cyclohexylphenyl)-diphenylsulfanium);N-[4-(dimethylamino)butylsulfonyl]octane-1-sulfonamide;methane;(4-methylphenyl)-diphenylsulfanium;triphenylsulfanium

bis(N-(4-aminophenyl)sulfonylacetamide);N-(4-aminophenyl)sulfonylnonanamide;(4-tert-butylphenyl)sulfanium;carbon dioxide;bis((4-cyclohexylphenyl)-diphenylsulfanium);N-[4-(dimethylamino)butylsulfonyl]octane-1-sulfonamide;methane;(4-methylphenyl)-diphenylsulfanium;triphenylsulfanium (PubChem CID 158548258) has the molecular formula C143H181N8O15S10+5 and a molecular weight of 2572.73 g/mol. Its IUPAC name is bis(N-(4-aminophenyl)sulfonylacetamide);N-(4-aminophenyl)sulfonylnonanamide;(4-tert-butylphenyl)sulfanium;carbon dioxide;bis((4-cyclohexylphenyl)-diphenylsulfanium);N-[4-(dimethylamino)butylsulfonyl]octane-1-sulfonamide;methane;(4-methylphenyl)-diphenylsulfanium;triphenylsulfanium.

Molecular Properties

Compound Namebis(N-(4-aminophenyl)sulfonylacetamide);N-(4-aminophenyl)sulfonylnonanamide;(4-tert-butylphenyl)sulfanium;carbon dioxide;bis((4-cyclohexylphenyl)-diphenylsulfanium);N-[4-(dimethylamino)butylsulfonyl]octane-1-sulfonamide;methane;(4-methylphenyl)-diphenylsulfanium;triphenylsulfanium
PubChem CID158548258
Molecular FormulaC143H181N8O15S10+5
Molecular Weight2572.73 g/mol
Exact Mass2570.08
IUPAC Namebis(N-(4-aminophenyl)sulfonylacetamide);N-(4-aminophenyl)sulfonylnonanamide;(4-tert-butylphenyl)sulfanium;carbon dioxide;bis((4-cyclohexylphenyl)-diphenylsulfanium);N-[4-(dimethylamino)butylsulfonyl]octane-1-sulfonamide;methane;(4-methylphenyl)-diphenylsulfanium;triphenylsulfanium
SMILESC.C.CC(=O)NS(=O)(=O)c1ccc(N)cc1.CC(=O)NS(=O)(=O)c1ccc(N)cc1.CC(C)(C)c1ccc([SH2+])cc1.CCCCCCCCC(=O)NS(=O)(=O)c1ccc(N)cc1.CCCCCCCCS(=O)(=O)NS(=O)(=O)CCCCN(C)C.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C=O.c1ccc([S+](c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C24H25S.C19H17S.C18H15S.C15H24N2O3S.C14H32N2O4S2.C10H14S.2C8H10N2O3S.CO2.2CH4/c2*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;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;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;2-1-3;;/h2*2-3,6-9,12-20H,1,4-5,10-11H2;2-15H,1H3;1-15H;9-12H,2-8,16H2,1H3,(H,17,18);15H,4-14H2,1-3H3;4-7,11H,1-3H3;2*2-5H,9H2,1H3,(H,10,11);;2*1H4/q4*+1;;;;;;;;/p+1
InChIKeyHPJYWMYDSFHIJU-UHFFFAOYSA-O
XLogP31.52
TPSA385.47 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds41
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002572.73
LogP ≤ 531.52
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

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'}

Analyze bis(N-(4-aminophenyl)sulfonylacetamide);N-(4-aminophenyl)sulfonylnonanamide;(4-tert-butylphenyl)sulfanium;carbon dioxide;bis((4-cyclohexylphenyl)-diphenylsulfanium);N-[4-(dimethylamino)butylsulfonyl]octane-1-sulfonamide;methane;(4-methylphenyl)-diphenylsulfanium;triphenylsulfanium with MolForge

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Related Compounds

(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
N-(4-aminophenyl)sulfonyloctadecanamide;titanium
CID 87794526
N-(4-methylphenyl)sulfonyloctanamide
CID 13094109
N-(4-aminophenyl)sulfonyloctadecanamide;sulfane;sulfuric acid
CID 70524364
N-(4-aminophenyl)sulfonylacetamide;N-(2-cyclohexylethylsulfonyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanamide;bis([4-(2-methylbutan-2-yl)phenyl]iodanium);bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(4-pyrrolidin-1-ylphenyl)sulfonylnonanamide
CID 161250157
N-(4-aminophenyl)sulfonylacetamide;didecyl(dimethyl)azanium
CID 69295519
bis((4-cyclohexylphenyl)-diphenylsulfanium);4-methylbenzenesulfonate;2,3,4,5,6-pentafluorobenzenesulfonate
CID 173182301
tetrakis((4-tert-butylphenyl)-diphenylsulfanium);(4-cyclohexylphenyl)-diphenylsulfanium;bis((4-methylphenyl)-diphenylsulfanium);bis(pentafluoro-λ5-stibane);bis((2,3,4,5,6-pentafluorophenyl)boranuide);trifluoromethanesulfonate;difluoride;dihexafluorophosphate
CID 159526387
N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135051885
bis(4-tert-butylphenyl)-phenylsulfanium;(4-tert-butylphenyl)-diphenylsulfanium;(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;triphenylsulfanium;tris(4-methylphenyl)sulfanium
CID 159442033
butanoate;tris(4-cyclohexylphenyl)sulfanium
CID 159058551
cyclopentyl N-hexadecanoylsulfamate
CID 66559619

Frequently Asked Questions

What is the IUPAC name of bis(N-(4-aminophenyl)sulfonylacetamide);N-(4-aminophenyl)sulfonylnonanamide;(4-tert-butylphenyl)sulfanium;carbon dioxide;bis((4-cyclohexylphenyl)-diphenylsulfanium);N-[4-(dimethylamino)butylsulfonyl]octane-1-sulfonamide;methane;(4-methylphenyl)-diphenylsulfanium;triphenylsulfanium?
The IUPAC name of bis(N-(4-aminophenyl)sulfonylacetamide);N-(4-aminophenyl)sulfonylnonanamide;(4-tert-butylphenyl)sulfanium;carbon dioxide;bis((4-cyclohexylphenyl)-diphenylsulfanium);N-[4-(dimethylamino)butylsulfonyl]octane-1-sulfonamide;methane;(4-methylphenyl)-diphenylsulfanium;triphenylsulfanium (CID 158548258) is bis(N-(4-aminophenyl)sulfonylacetamide);N-(4-aminophenyl)sulfonylnonanamide;(4-tert-butylphenyl)sulfanium;carbon dioxide;bis((4-cyclohexylphenyl)-diphenylsulfanium);N-[4-(dimethylamino)butylsulfonyl]octane-1-sulfonamide;methane;(4-methylphenyl)-diphenylsulfanium;triphenylsulfanium.
What is the SMILES notation for bis(N-(4-aminophenyl)sulfonylacetamide);N-(4-aminophenyl)sulfonylnonanamide;(4-tert-butylphenyl)sulfanium;carbon dioxide;bis((4-cyclohexylphenyl)-diphenylsulfanium);N-[4-(dimethylamino)butylsulfonyl]octane-1-sulfonamide;methane;(4-methylphenyl)-diphenylsulfanium;triphenylsulfanium?
The canonical SMILES for bis(N-(4-aminophenyl)sulfonylacetamide);N-(4-aminophenyl)sulfonylnonanamide;(4-tert-butylphenyl)sulfanium;carbon dioxide;bis((4-cyclohexylphenyl)-diphenylsulfanium);N-[4-(dimethylamino)butylsulfonyl]octane-1-sulfonamide;methane;(4-methylphenyl)-diphenylsulfanium;triphenylsulfanium is C.C.CC(=O)NS(=O)(=O)c1ccc(N)cc1.CC(=O)NS(=O)(=O)c1ccc(N)cc1.CC(C)(C)c1ccc([SH2+])cc1.CCCCCCCCC(=O)NS(=O)(=O)c1ccc(N)cc1.CCCCCCCCS(=O)(=O)NS(=O)(=O)CCCCN(C)C.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C=O.c1ccc([S+](c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(N-(4-aminophenyl)sulfonylacetamide);N-(4-aminophenyl)sulfonylnonanamide;(4-tert-butylphenyl)sulfanium;carbon dioxide;bis((4-cyclohexylphenyl)-diphenylsulfanium);N-[4-(dimethylamino)butylsulfonyl]octane-1-sulfonamide;methane;(4-methylphenyl)-diphenylsulfanium;triphenylsulfanium?
The InChIKey is HPJYWMYDSFHIJU-UHFFFAOYSA-O. The full InChI is InChI=1S/2C24H25S.C19H17S.C18H15S.C15H24N2O3S.C14H32N2O4S2.C10H14S.2C8H10N2O3S.CO2.2CH4/c2*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;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;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;2-1-3;;/h2*2-3,6-9,12-20H,1,4-5,10-11H2;2-15H,1H3;1-15H;9-12H,2-8,16H2,1H3,(H,17,18);15H,4-14H2,1-3H3;4-7,11H,1-3H3;2*2-5H,9H2,1H3,(H,10,11);;2*1H4/q4*+1;;;;;;;;/p+1.
What are the key properties of bis(N-(4-aminophenyl)sulfonylacetamide);N-(4-aminophenyl)sulfonylnonanamide;(4-tert-butylphenyl)sulfanium;carbon dioxide;bis((4-cyclohexylphenyl)-diphenylsulfanium);N-[4-(dimethylamino)butylsulfonyl]octane-1-sulfonamide;methane;(4-methylphenyl)-diphenylsulfanium;triphenylsulfanium?
bis(N-(4-aminophenyl)sulfonylacetamide);N-(4-aminophenyl)sulfonylnonanamide;(4-tert-butylphenyl)sulfanium;carbon dioxide;bis((4-cyclohexylphenyl)-diphenylsulfanium);N-[4-(dimethylamino)butylsulfonyl]octane-1-sulfonamide;methane;(4-methylphenyl)-diphenylsulfanium;triphenylsulfanium has a molecular weight of 2572.73 g/mol, XLogP of 31.52, 41 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-(4-aminophenyl)sulfonylacetamide);N-(4-aminophenyl)sulfonylnonanamide;(4-tert-butylphenyl)sulfanium;carbon dioxide;bis((4-cyclohexylphenyl)-diphenylsulfanium);N-[4-(dimethylamino)butylsulfonyl]octane-1-sulfonamide;methane;(4-methylphenyl)-diphenylsulfanium;triphenylsulfanium is sourced from PubChem (CID 158548258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).