hexasodium;2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-(methanesulfonamido)benzenesulfonate;2-[[4-amino-6-(4-trimethoxysilylbutyl)-1,3,5-triazin-2-yl]amino]-4-(methanesulfonamido)benzenesulfonate;carbanide;copper;bis(dioxosilane);bis(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene);bis(3-[hydroxy(dimethoxy)silyl]propan-1-amine);methanesulfonate;(sulfinatoamino)methane;bis(sulfur trioxide);3-trimethoxysilylpropan-1-amine

C113H136ClCu2N33Na6O42S10Si6-6 — CID 157210940

IUPAChexasodium;2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-(methanesulfonamido)benzenesulfonate;2-[[4-amino-6-(4-trimethoxysilylbutyl)-1,3,5-triazin-2-yl]amino]-4-(methanesulfonamido)benzenesulfonate;carbanide;copper;bis(dioxosilane);bis(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene);bis(3-[hydroxy(dimethoxy)silyl]propan-1-amine);methanesulfonate;(sulfinatoamino)methane;bis(sulfur trioxide);3-trimethoxysilylpropan-1-amine
SMILESCNS(=O)[O-].CNS(=O)[O-].CO[Si](CCCCc1nc(N)nc(Nc2cc(NS(C)(=O)=O)ccc2S(=O)(=O)[O-])n1)(OC)OC.CO[Si](CCCN)(OC)OC.CO[Si](O)(CCCN)OC.CO[Si](O)(CCCN)OC.CS(=O)(=O)Nc1ccc(S(=O)(=O)[O-])c(Nc2nc(N)nc(Cl)n2)c1.CS(=O)(=O)[O-].CS(=O)(=O)[O-].O=S(=O)=O.O=S(=O)=O.O=[Si]=O.O=[Si]=O.[CH3-].[CH3-].[Cu].[Cu].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21.c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21
InChIInChI=1S/2C32H16N8.C17H28N6O8S2Si.C10H11ClN6O5S2.C6H17NO3Si.2C5H15NO3Si.2CH5NO2S.2CH4O3S.2CH3.2Cu.6Na.2O3S.2O2Si/c2*1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;1-29-34(30-2,31-3)10-6-5-7-15-20-16(18)22-17(21-15)19-13-11-12(23-32(4,24)25)8-9-14(13)33(26,27)28;1-23(18,19)17-5-2-3-7(24(20,21)22)6(4-5)13-10-15-8(11)14-9(12)16-10;1-8-11(9-2,10-3)6-4-5-7;2*1-8-10(7,9-2)5-3-4-6;2*1-2-5(3)4;2*1-5(2,3)4;;;;;;;;;;;2*1-4(2)3;2*1-3-2/h2*1-16H;8-9,11,23H,5-7,10H2,1-4H3,(H,26,27,28)(H3,18,19,20,21,22);2-4,17H,1H3,(H,20,21,22)(H3,12,13,14,15,16);4-7H2,1-3H3;2*7H,3-6H2,1-2H3;2*2H,1H3,(H,3,4);2*1H3,(H,2,3,4);2*1H3;;;;;;;;;;;;/q2*-2;;;;;;;;;;2*-1;;;6*+1;;;;/p-6
InChIKeyHUVCUDYOCXLWSQ-UHFFFAOYSA-H
MW3418.19 g/mol
LogP-11.62
Rot. Bonds36

About hexasodium;2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-(methanesulfonamido)benzenesulfonate;2-[[4-amino-6-(4-trimethoxysilylbutyl)-1,3,5-triazin-2-yl]amino]-4-(methanesulfonamido)benzenesulfonate;carbanide;copper;bis(dioxosilane);bis(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene);bis(3-[hydroxy(dimethoxy)silyl]propan-1-amine);methanesulfonate;(sulfinatoamino)methane;bis(sulfur trioxide);3-trimethoxysilylpropan-1-amine

hexasodium;2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-(methanesulfonamido)benzenesulfonate;2-[[4-amino-6-(4-trimethoxysilylbutyl)-1,3,5-triazin-2-yl]amino]-4-(methanesulfonamido)benzenesulfonate;carbanide;copper;bis(dioxosilane);bis(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene);bis(3-[hydroxy(dimethoxy)silyl]propan-1-amine);methanesulfonate;(sulfinatoamino)methane;bis(sulfur trioxide);3-trimethoxysilylpropan-1-amine (PubChem CID 157210940) has the molecular formula C113H136ClCu2N33Na6O42S10Si6-6 and a molecular weight of 3418.19 g/mol. Its IUPAC name is hexasodium;2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-(methanesulfonamido)benzenesulfonate;2-[[4-amino-6-(4-trimethoxysilylbutyl)-1,3,5-triazin-2-yl]amino]-4-(methanesulfonamido)benzenesulfonate;carbanide;copper;bis(dioxosilane);bis(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene);bis(3-[hydroxy(dimethoxy)silyl]propan-1-amine);methanesulfonate;(sulfinatoamino)methane;bis(sulfur trioxide);3-trimethoxysilylpropan-1-amine.

Molecular Properties

Compound Namehexasodium;2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-(methanesulfonamido)benzenesulfonate;2-[[4-amino-6-(4-trimethoxysilylbutyl)-1,3,5-triazin-2-yl]amino]-4-(methanesulfonamido)benzenesulfonate;carbanide;copper;bis(dioxosilane);bis(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene);bis(3-[hydroxy(dimethoxy)silyl]propan-1-amine);methanesulfonate;(sulfinatoamino)methane;bis(sulfur trioxide);3-trimethoxysilylpropan-1-amine
PubChem CID157210940
Molecular FormulaC113H136ClCu2N33Na6O42S10Si6-6
Molecular Weight3418.19 g/mol
Exact Mass3413.30
IUPAC Namehexasodium;2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-(methanesulfonamido)benzenesulfonate;2-[[4-amino-6-(4-trimethoxysilylbutyl)-1,3,5-triazin-2-yl]amino]-4-(methanesulfonamido)benzenesulfonate;carbanide;copper;bis(dioxosilane);bis(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene);bis(3-[hydroxy(dimethoxy)silyl]propan-1-amine);methanesulfonate;(sulfinatoamino)methane;bis(sulfur trioxide);3-trimethoxysilylpropan-1-amine
SMILESCNS(=O)[O-].CNS(=O)[O-].CO[Si](CCCCc1nc(N)nc(Nc2cc(NS(C)(=O)=O)ccc2S(=O)(=O)[O-])n1)(OC)OC.CO[Si](CCCN)(OC)OC.CO[Si](O)(CCCN)OC.CO[Si](O)(CCCN)OC.CS(=O)(=O)Nc1ccc(S(=O)(=O)[O-])c(Nc2nc(N)nc(Cl)n2)c1.CS(=O)(=O)[O-].CS(=O)(=O)[O-].O=S(=O)=O.O=S(=O)=O.O=[Si]=O.O=[Si]=O.[CH3-].[CH3-].[Cu].[Cu].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21.c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21
InChIInChI=1S/2C32H16N8.C17H28N6O8S2Si.C10H11ClN6O5S2.C6H17NO3Si.2C5H15NO3Si.2CH5NO2S.2CH4O3S.2CH3.2Cu.6Na.2O3S.2O2Si/c2*1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;1-29-34(30-2,31-3)10-6-5-7-15-20-16(18)22-17(21-15)19-13-11-12(23-32(4,24)25)8-9-14(13)33(26,27)28;1-23(18,19)17-5-2-3-7(24(20,21)22)6(4-5)13-10-15-8(11)14-9(12)16-10;1-8-11(9-2,10-3)6-4-5-7;2*1-8-10(7,9-2)5-3-4-6;2*1-2-5(3)4;2*1-5(2,3)4;;;;;;;;;;;2*1-4(2)3;2*1-3-2/h2*1-16H;8-9,11,23H,5-7,10H2,1-4H3,(H,26,27,28)(H3,18,19,20,21,22);2-4,17H,1H3,(H,20,21,22)(H3,12,13,14,15,16);4-7H2,1-3H3;2*7H,3-6H2,1-2H3;2*2H,1H3,(H,3,4);2*1H3,(H,2,3,4);2*1H3;;;;;;;;;;;;/q2*-2;;;;;;;;;;2*-1;;;6*+1;;;;/p-6
InChIKeyHUVCUDYOCXLWSQ-UHFFFAOYSA-H
XLogP-11.62
TPSA1171.50 Ų
H-Bond Donors13
H-Bond Acceptors67
Rotatable Bonds36
Heavy Atoms213
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003418.19
LogP ≤ 5-11.62
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1067

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze hexasodium;2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-(methanesulfonamido)benzenesulfonate;2-[[4-amino-6-(4-trimethoxysilylbutyl)-1,3,5-triazin-2-yl]amino]-4-(methanesulfonamido)benzenesulfonate;carbanide;copper;bis(dioxosilane);bis(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene);bis(3-[hydroxy(dimethoxy)silyl]propan-1-amine);methanesulfonate;(sulfinatoamino)methane;bis(sulfur trioxide);3-trimethoxysilylpropan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of hexasodium;2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-(methanesulfonamido)benzenesulfonate;2-[[4-amino-6-(4-trimethoxysilylbutyl)-1,3,5-triazin-2-yl]amino]-4-(methanesulfonamido)benzenesulfonate;carbanide;copper;bis(dioxosilane);bis(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene);bis(3-[hydroxy(dimethoxy)silyl]propan-1-amine);methanesulfonate;(sulfinatoamino)methane;bis(sulfur trioxide);3-trimethoxysilylpropan-1-amine?
The IUPAC name of hexasodium;2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-(methanesulfonamido)benzenesulfonate;2-[[4-amino-6-(4-trimethoxysilylbutyl)-1,3,5-triazin-2-yl]amino]-4-(methanesulfonamido)benzenesulfonate;carbanide;copper;bis(dioxosilane);bis(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene);bis(3-[hydroxy(dimethoxy)silyl]propan-1-amine);methanesulfonate;(sulfinatoamino)methane;bis(sulfur trioxide);3-trimethoxysilylpropan-1-amine (CID 157210940) is hexasodium;2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-(methanesulfonamido)benzenesulfonate;2-[[4-amino-6-(4-trimethoxysilylbutyl)-1,3,5-triazin-2-yl]amino]-4-(methanesulfonamido)benzenesulfonate;carbanide;copper;bis(dioxosilane);bis(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene);bis(3-[hydroxy(dimethoxy)silyl]propan-1-amine);methanesulfonate;(sulfinatoamino)methane;bis(sulfur trioxide);3-trimethoxysilylpropan-1-amine.
What is the SMILES notation for hexasodium;2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-(methanesulfonamido)benzenesulfonate;2-[[4-amino-6-(4-trimethoxysilylbutyl)-1,3,5-triazin-2-yl]amino]-4-(methanesulfonamido)benzenesulfonate;carbanide;copper;bis(dioxosilane);bis(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene);bis(3-[hydroxy(dimethoxy)silyl]propan-1-amine);methanesulfonate;(sulfinatoamino)methane;bis(sulfur trioxide);3-trimethoxysilylpropan-1-amine?
The canonical SMILES for hexasodium;2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-(methanesulfonamido)benzenesulfonate;2-[[4-amino-6-(4-trimethoxysilylbutyl)-1,3,5-triazin-2-yl]amino]-4-(methanesulfonamido)benzenesulfonate;carbanide;copper;bis(dioxosilane);bis(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene);bis(3-[hydroxy(dimethoxy)silyl]propan-1-amine);methanesulfonate;(sulfinatoamino)methane;bis(sulfur trioxide);3-trimethoxysilylpropan-1-amine is CNS(=O)[O-].CNS(=O)[O-].CO[Si](CCCCc1nc(N)nc(Nc2cc(NS(C)(=O)=O)ccc2S(=O)(=O)[O-])n1)(OC)OC.CO[Si](CCCN)(OC)OC.CO[Si](O)(CCCN)OC.CO[Si](O)(CCCN)OC.CS(=O)(=O)Nc1ccc(S(=O)(=O)[O-])c(Nc2nc(N)nc(Cl)n2)c1.CS(=O)(=O)[O-].CS(=O)(=O)[O-].O=S(=O)=O.O=S(=O)=O.O=[Si]=O.O=[Si]=O.[CH3-].[CH3-].[Cu].[Cu].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21.c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21.
What is the InChIKey of hexasodium;2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-(methanesulfonamido)benzenesulfonate;2-[[4-amino-6-(4-trimethoxysilylbutyl)-1,3,5-triazin-2-yl]amino]-4-(methanesulfonamido)benzenesulfonate;carbanide;copper;bis(dioxosilane);bis(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene);bis(3-[hydroxy(dimethoxy)silyl]propan-1-amine);methanesulfonate;(sulfinatoamino)methane;bis(sulfur trioxide);3-trimethoxysilylpropan-1-amine?
The InChIKey is HUVCUDYOCXLWSQ-UHFFFAOYSA-H. The full InChI is InChI=1S/2C32H16N8.C17H28N6O8S2Si.C10H11ClN6O5S2.C6H17NO3Si.2C5H15NO3Si.2CH5NO2S.2CH4O3S.2CH3.2Cu.6Na.2O3S.2O2Si/c2*1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;1-29-34(30-2,31-3)10-6-5-7-15-20-16(18)22-17(21-15)19-13-11-12(23-32(4,24)25)8-9-14(13)33(26,27)28;1-23(18,19)17-5-2-3-7(24(20,21)22)6(4-5)13-10-15-8(11)14-9(12)16-10;1-8-11(9-2,10-3)6-4-5-7;2*1-8-10(7,9-2)5-3-4-6;2*1-2-5(3)4;2*1-5(2,3)4;;;;;;;;;;;2*1-4(2)3;2*1-3-2/h2*1-16H;8-9,11,23H,5-7,10H2,1-4H3,(H,26,27,28)(H3,18,19,20,21,22);2-4,17H,1H3,(H,20,21,22)(H3,12,13,14,15,16);4-7H2,1-3H3;2*7H,3-6H2,1-2H3;2*2H,1H3,(H,3,4);2*1H3,(H,2,3,4);2*1H3;;;;;;;;;;;;/q2*-2;;;;;;;;;;2*-1;;;6*+1;;;;/p-6.
What are the key properties of hexasodium;2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-(methanesulfonamido)benzenesulfonate;2-[[4-amino-6-(4-trimethoxysilylbutyl)-1,3,5-triazin-2-yl]amino]-4-(methanesulfonamido)benzenesulfonate;carbanide;copper;bis(dioxosilane);bis(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene);bis(3-[hydroxy(dimethoxy)silyl]propan-1-amine);methanesulfonate;(sulfinatoamino)methane;bis(sulfur trioxide);3-trimethoxysilylpropan-1-amine?
hexasodium;2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-(methanesulfonamido)benzenesulfonate;2-[[4-amino-6-(4-trimethoxysilylbutyl)-1,3,5-triazin-2-yl]amino]-4-(methanesulfonamido)benzenesulfonate;carbanide;copper;bis(dioxosilane);bis(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene);bis(3-[hydroxy(dimethoxy)silyl]propan-1-amine);methanesulfonate;(sulfinatoamino)methane;bis(sulfur trioxide);3-trimethoxysilylpropan-1-amine has a molecular weight of 3418.19 g/mol, XLogP of -11.62, 36 rotatable bonds, 13 hydrogen bond donors, and 67 hydrogen bond acceptors.
Where does this data come from?
All data for hexasodium;2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-(methanesulfonamido)benzenesulfonate;2-[[4-amino-6-(4-trimethoxysilylbutyl)-1,3,5-triazin-2-yl]amino]-4-(methanesulfonamido)benzenesulfonate;carbanide;copper;bis(dioxosilane);bis(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene);bis(3-[hydroxy(dimethoxy)silyl]propan-1-amine);methanesulfonate;(sulfinatoamino)methane;bis(sulfur trioxide);3-trimethoxysilylpropan-1-amine is sourced from PubChem (CID 157210940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).