sodium;6-bromo-3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide;6-bromo-3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide;hydride;bis(3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-6-methylbenzenesulfonamide);bis(3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-6-methylbenzenesulfonamide)

C190H187Br2I6N30NaO30S6 — CID 158685812

IUPACsodium;6-bromo-3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide;6-bromo-3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide;hydride;bis(3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-6-methylbenzenesulfonamide);bis(3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-6-methylbenzenesulfonamide)
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(Br)ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(Br)ccc(I)c2-c2nnnn2Cc2ccc(OC)cc2)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(C)ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(C)ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(C)ccc(I)c2-c2nnnn2Cc2ccc(OC)cc2)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(C)ccc(I)c2-c2nnnn2Cc2ccc(OC)cc2)cc1.[H-].[Na+]
InChIInChI=1S/4C32H32IN5O5S.2C31H29BrIN5O5S.Na.H/c2*1-22-5-18-29(33)30(32-34-35-36-38(32)21-25-10-16-28(43-4)17-11-25)31(22)44(39,40)37(19-23-6-12-26(41-2)13-7-23)20-24-8-14-27(42-3)15-9-24;2*1-22-5-18-29(33)30(32-34-36-38(35-32)21-25-10-16-28(43-4)17-11-25)31(22)44(39,40)37(19-23-6-12-26(41-2)13-7-23)20-24-8-14-27(42-3)15-9-24;1-41-24-10-4-21(5-11-24)18-37(19-22-6-12-25(42-2)13-7-22)44(39,40)30-27(32)16-17-28(33)29(30)31-34-35-36-38(31)20-23-8-14-26(43-3)15-9-23;1-41-24-10-4-21(5-11-24)18-37(19-22-6-12-25(42-2)13-7-22)44(39,40)30-27(32)16-17-28(33)29(30)31-34-36-38(35-31)20-23-8-14-26(43-3)15-9-23;;/h4*5-18H,19-21H2,1-4H3;2*4-17H,18-20H2,1-3H3;;/q;;;;;;+1;-1
InChIKeyGLERRCIPGSEEDE-UHFFFAOYSA-N
MW4507.39 g/mol
LogP32.33
Rot. Bonds72

About sodium;6-bromo-3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide;6-bromo-3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide;hydride;bis(3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-6-methylbenzenesulfonamide);bis(3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-6-methylbenzenesulfonamide)

sodium;6-bromo-3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide;6-bromo-3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide;hydride;bis(3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-6-methylbenzenesulfonamide);bis(3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-6-methylbenzenesulfonamide) (PubChem CID 158685812) has the molecular formula C190H187Br2I6N30NaO30S6 and a molecular weight of 4507.39 g/mol. Its IUPAC name is sodium;6-bromo-3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide;6-bromo-3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide;hydride;bis(3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-6-methylbenzenesulfonamide);bis(3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-6-methylbenzenesulfonamide).

Molecular Properties

Compound Namesodium;6-bromo-3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide;6-bromo-3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide;hydride;bis(3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-6-methylbenzenesulfonamide);bis(3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-6-methylbenzenesulfonamide)
PubChem CID158685812
Molecular FormulaC190H187Br2I6N30NaO30S6
Molecular Weight4507.39 g/mol
Exact Mass4502.49
IUPAC Namesodium;6-bromo-3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide;6-bromo-3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide;hydride;bis(3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-6-methylbenzenesulfonamide);bis(3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-6-methylbenzenesulfonamide)
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(Br)ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(Br)ccc(I)c2-c2nnnn2Cc2ccc(OC)cc2)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(C)ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(C)ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(C)ccc(I)c2-c2nnnn2Cc2ccc(OC)cc2)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(C)ccc(I)c2-c2nnnn2Cc2ccc(OC)cc2)cc1.[H-].[Na+]
InChIInChI=1S/4C32H32IN5O5S.2C31H29BrIN5O5S.Na.H/c2*1-22-5-18-29(33)30(32-34-35-36-38(32)21-25-10-16-28(43-4)17-11-25)31(22)44(39,40)37(19-23-6-12-26(41-2)13-7-23)20-24-8-14-27(42-3)15-9-24;2*1-22-5-18-29(33)30(32-34-36-38(35-32)21-25-10-16-28(43-4)17-11-25)31(22)44(39,40)37(19-23-6-12-26(41-2)13-7-23)20-24-8-14-27(42-3)15-9-24;1-41-24-10-4-21(5-11-24)18-37(19-22-6-12-25(42-2)13-7-22)44(39,40)30-27(32)16-17-28(33)29(30)31-34-35-36-38(31)20-23-8-14-26(43-3)15-9-23;1-41-24-10-4-21(5-11-24)18-37(19-22-6-12-25(42-2)13-7-22)44(39,40)30-27(32)16-17-28(33)29(30)31-34-36-38(35-31)20-23-8-14-26(43-3)15-9-23;;/h4*5-18H,19-21H2,1-4H3;2*4-17H,18-20H2,1-3H3;;/q;;;;;;+1;-1
InChIKeyGLERRCIPGSEEDE-UHFFFAOYSA-N
XLogP32.33
TPSA652.02 Ų
H-Bond Donors
H-Bond Acceptors54
Rotatable Bonds72
Heavy Atoms265
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004507.39
LogP ≤ 532.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1054

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze sodium;6-bromo-3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide;6-bromo-3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide;hydride;bis(3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-6-methylbenzenesulfonamide);bis(3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-6-methylbenzenesulfonamide) with MolForge

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Frequently Asked Questions

What is the IUPAC name of sodium;6-bromo-3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide;6-bromo-3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide;hydride;bis(3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-6-methylbenzenesulfonamide);bis(3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-6-methylbenzenesulfonamide)?
The IUPAC name of sodium;6-bromo-3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide;6-bromo-3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide;hydride;bis(3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-6-methylbenzenesulfonamide);bis(3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-6-methylbenzenesulfonamide) (CID 158685812) is sodium;6-bromo-3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide;6-bromo-3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide;hydride;bis(3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-6-methylbenzenesulfonamide);bis(3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-6-methylbenzenesulfonamide).
What is the SMILES notation for sodium;6-bromo-3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide;6-bromo-3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide;hydride;bis(3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-6-methylbenzenesulfonamide);bis(3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-6-methylbenzenesulfonamide)?
The canonical SMILES for sodium;6-bromo-3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide;6-bromo-3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide;hydride;bis(3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-6-methylbenzenesulfonamide);bis(3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-6-methylbenzenesulfonamide) is COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(Br)ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(Br)ccc(I)c2-c2nnnn2Cc2ccc(OC)cc2)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(C)ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(C)ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(C)ccc(I)c2-c2nnnn2Cc2ccc(OC)cc2)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(C)ccc(I)c2-c2nnnn2Cc2ccc(OC)cc2)cc1.[H-].[Na+].
What is the InChIKey of sodium;6-bromo-3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide;6-bromo-3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide;hydride;bis(3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-6-methylbenzenesulfonamide);bis(3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-6-methylbenzenesulfonamide)?
The InChIKey is GLERRCIPGSEEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/4C32H32IN5O5S.2C31H29BrIN5O5S.Na.H/c2*1-22-5-18-29(33)30(32-34-35-36-38(32)21-25-10-16-28(43-4)17-11-25)31(22)44(39,40)37(19-23-6-12-26(41-2)13-7-23)20-24-8-14-27(42-3)15-9-24;2*1-22-5-18-29(33)30(32-34-36-38(35-32)21-25-10-16-28(43-4)17-11-25)31(22)44(39,40)37(19-23-6-12-26(41-2)13-7-23)20-24-8-14-27(42-3)15-9-24;1-41-24-10-4-21(5-11-24)18-37(19-22-6-12-25(42-2)13-7-22)44(39,40)30-27(32)16-17-28(33)29(30)31-34-35-36-38(31)20-23-8-14-26(43-3)15-9-23;1-41-24-10-4-21(5-11-24)18-37(19-22-6-12-25(42-2)13-7-22)44(39,40)30-27(32)16-17-28(33)29(30)31-34-36-38(35-31)20-23-8-14-26(43-3)15-9-23;;/h4*5-18H,19-21H2,1-4H3;2*4-17H,18-20H2,1-3H3;;/q;;;;;;+1;-1.
What are the key properties of sodium;6-bromo-3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide;6-bromo-3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide;hydride;bis(3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-6-methylbenzenesulfonamide);bis(3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-6-methylbenzenesulfonamide)?
sodium;6-bromo-3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide;6-bromo-3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide;hydride;bis(3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-6-methylbenzenesulfonamide);bis(3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-6-methylbenzenesulfonamide) has a molecular weight of 4507.39 g/mol, XLogP of 32.33, 72 rotatable bonds, 0 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;6-bromo-3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide;6-bromo-3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide;hydride;bis(3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-6-methylbenzenesulfonamide);bis(3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-6-methylbenzenesulfonamide) is sourced from PubChem (CID 158685812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).