N,N'-bis(2-methylphenyl)-1-trimethylsilylmethanedisulfonamide

C18H26N2O4S2Si — CID 90121553

IUPACN,N'-bis(2-methylphenyl)-1-trimethylsilylmethanedisulfonamide
SMILESCc1ccccc1NS(=O)(=O)C([Si](C)(C)C)S(=O)(=O)Nc1ccccc1C
InChIInChI=1S/C18H26N2O4S2Si/c1-14-10-6-8-12-16(14)19-25(21,22)18(27(3,4)5)26(23,24)20-17-13-9-7-11-15(17)2/h6-13,18-20H,1-5H3
InChIKeyDLMDQXTXRCRCFZ-UHFFFAOYSA-N
MW426.64 g/mol
LogP3.69
Rot. Bonds7

About N,N'-bis(2-methylphenyl)-1-trimethylsilylmethanedisulfonamide

N,N'-bis(2-methylphenyl)-1-trimethylsilylmethanedisulfonamide (PubChem CID 90121553) has the molecular formula C18H26N2O4S2Si and a molecular weight of 426.64 g/mol. Its IUPAC name is N,N'-bis(2-methylphenyl)-1-trimethylsilylmethanedisulfonamide.

Molecular Properties

Compound NameN,N'-bis(2-methylphenyl)-1-trimethylsilylmethanedisulfonamide
PubChem CID90121553
Molecular FormulaC18H26N2O4S2Si
Molecular Weight426.64 g/mol
Exact Mass426.11
IUPAC NameN,N'-bis(2-methylphenyl)-1-trimethylsilylmethanedisulfonamide
SMILESCc1ccccc1NS(=O)(=O)C([Si](C)(C)C)S(=O)(=O)Nc1ccccc1C
InChIInChI=1S/C18H26N2O4S2Si/c1-14-10-6-8-12-16(14)19-25(21,22)18(27(3,4)5)26(23,24)20-17-13-9-7-11-15(17)2/h6-13,18-20H,1-5H3
InChIKeyDLMDQXTXRCRCFZ-UHFFFAOYSA-N
XLogP3.69
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.64
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-methylphenyl)-1-trimethylsilylmethanedisulfonamide?
The IUPAC name of N,N'-bis(2-methylphenyl)-1-trimethylsilylmethanedisulfonamide (CID 90121553) is N,N'-bis(2-methylphenyl)-1-trimethylsilylmethanedisulfonamide.
What is the SMILES notation for N,N'-bis(2-methylphenyl)-1-trimethylsilylmethanedisulfonamide?
The canonical SMILES for N,N'-bis(2-methylphenyl)-1-trimethylsilylmethanedisulfonamide is Cc1ccccc1NS(=O)(=O)C([Si](C)(C)C)S(=O)(=O)Nc1ccccc1C.
What is the InChIKey of N,N'-bis(2-methylphenyl)-1-trimethylsilylmethanedisulfonamide?
The InChIKey is DLMDQXTXRCRCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S2Si/c1-14-10-6-8-12-16(14)19-25(21,22)18(27(3,4)5)26(23,24)20-17-13-9-7-11-15(17)2/h6-13,18-20H,1-5H3.
What are the key properties of N,N'-bis(2-methylphenyl)-1-trimethylsilylmethanedisulfonamide?
N,N'-bis(2-methylphenyl)-1-trimethylsilylmethanedisulfonamide has a molecular weight of 426.64 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-methylphenyl)-1-trimethylsilylmethanedisulfonamide is sourced from PubChem (CID 90121553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).