N-[[[dimethyl-[[methyl-(4-methylphenyl)sulfonylamino]methyl]silyl]oxy-dimethylsilyl]methyl]-N,4-dimethylbenzenesulfonamide

C22H36N2O5S2Si2 — CID 164683181

IUPACN-[[[dimethyl-[[methyl-(4-methylphenyl)sulfonylamino]methyl]silyl]oxy-dimethylsilyl]methyl]-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C[Si](C)(C)O[Si](C)(C)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H36N2O5S2Si2/c1-19-9-13-21(14-10-19)30(25,26)23(3)17-32(5,6)29-33(7,8)18-24(4)31(27,28)22-15-11-20(2)12-16-22/h9-16H,17-18H2,1-8H3
InChIKeyFEUZFKYLMZDWOP-UHFFFAOYSA-N
MW528.85 g/mol
LogP3.75
Rot. Bonds10

About N-[[[dimethyl-[[methyl-(4-methylphenyl)sulfonylamino]methyl]silyl]oxy-dimethylsilyl]methyl]-N,4-dimethylbenzenesulfonamide

N-[[[dimethyl-[[methyl-(4-methylphenyl)sulfonylamino]methyl]silyl]oxy-dimethylsilyl]methyl]-N,4-dimethylbenzenesulfonamide (PubChem CID 164683181) has the molecular formula C22H36N2O5S2Si2 and a molecular weight of 528.85 g/mol. Its IUPAC name is N-[[[dimethyl-[[methyl-(4-methylphenyl)sulfonylamino]methyl]silyl]oxy-dimethylsilyl]methyl]-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[[dimethyl-[[methyl-(4-methylphenyl)sulfonylamino]methyl]silyl]oxy-dimethylsilyl]methyl]-N,4-dimethylbenzenesulfonamide
PubChem CID164683181
Molecular FormulaC22H36N2O5S2Si2
Molecular Weight528.85 g/mol
Exact Mass528.16
IUPAC NameN-[[[dimethyl-[[methyl-(4-methylphenyl)sulfonylamino]methyl]silyl]oxy-dimethylsilyl]methyl]-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C[Si](C)(C)O[Si](C)(C)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H36N2O5S2Si2/c1-19-9-13-21(14-10-19)30(25,26)23(3)17-32(5,6)29-33(7,8)18-24(4)31(27,28)22-15-11-20(2)12-16-22/h9-16H,17-18H2,1-8H3
InChIKeyFEUZFKYLMZDWOP-UHFFFAOYSA-N
XLogP3.75
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.85
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,4-dimethyl-N-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl-(4-methylphenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 11767132
N-(2-aminoethyl)-N,4-dimethylbenzenesulfonamide
CID 10376490
N-methyl-1-[methyl-(4-methylphenyl)sulfonylamino]methanamine oxide
CID 163689251
N,4-dimethyl-N-[[(2S)-oxiran-2-yl]methyl]benzenesulfonamide
CID 51673993
ethyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate
CID 12963006
N-(3-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
CID 11287998
N-(2-bromoprop-2-enyl)-N,4-dimethylbenzenesulfonamide
CID 121219829
4-methyl-N-nitro-N-trimethylsilylbenzenesulfonamide
CID 71381685
N,4-dimethyl-N-[(3-nitrophenyl)methyl]benzenesulfonamide
CID 8891186
N-[2-(4-methoxyphenyl)ethyl]-N,4-dimethylbenzenesulfonamide
CID 110288005
4-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
CID 26057393
N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890

Frequently Asked Questions

What is the IUPAC name of N-[[[dimethyl-[[methyl-(4-methylphenyl)sulfonylamino]methyl]silyl]oxy-dimethylsilyl]methyl]-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[[[dimethyl-[[methyl-(4-methylphenyl)sulfonylamino]methyl]silyl]oxy-dimethylsilyl]methyl]-N,4-dimethylbenzenesulfonamide (CID 164683181) is N-[[[dimethyl-[[methyl-(4-methylphenyl)sulfonylamino]methyl]silyl]oxy-dimethylsilyl]methyl]-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[[[dimethyl-[[methyl-(4-methylphenyl)sulfonylamino]methyl]silyl]oxy-dimethylsilyl]methyl]-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[[[dimethyl-[[methyl-(4-methylphenyl)sulfonylamino]methyl]silyl]oxy-dimethylsilyl]methyl]-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)C[Si](C)(C)O[Si](C)(C)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[[[dimethyl-[[methyl-(4-methylphenyl)sulfonylamino]methyl]silyl]oxy-dimethylsilyl]methyl]-N,4-dimethylbenzenesulfonamide?
The InChIKey is FEUZFKYLMZDWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O5S2Si2/c1-19-9-13-21(14-10-19)30(25,26)23(3)17-32(5,6)29-33(7,8)18-24(4)31(27,28)22-15-11-20(2)12-16-22/h9-16H,17-18H2,1-8H3.
What are the key properties of N-[[[dimethyl-[[methyl-(4-methylphenyl)sulfonylamino]methyl]silyl]oxy-dimethylsilyl]methyl]-N,4-dimethylbenzenesulfonamide?
N-[[[dimethyl-[[methyl-(4-methylphenyl)sulfonylamino]methyl]silyl]oxy-dimethylsilyl]methyl]-N,4-dimethylbenzenesulfonamide has a molecular weight of 528.85 g/mol, XLogP of 3.75, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[[dimethyl-[[methyl-(4-methylphenyl)sulfonylamino]methyl]silyl]oxy-dimethylsilyl]methyl]-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 164683181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).