N-chloro-2-trimethylsilylethanesulfonamide

C5H14ClNO2SSi — CID 19106976

IUPACN-chloro-2-trimethylsilylethanesulfonamide
SMILESC[Si](C)(C)CCS(=O)(=O)NCl
InChIInChI=1S/C5H14ClNO2SSi/c1-11(2,3)5-4-10(8,9)7-6/h7H,4-5H2,1-3H3
InChIKeyOMDJQCLJJZLXDN-UHFFFAOYSA-N
MW215.78 g/mol
LogP1.40
Rot. Bonds4

About N-chloro-2-trimethylsilylethanesulfonamide

N-chloro-2-trimethylsilylethanesulfonamide (PubChem CID 19106976) has the molecular formula C5H14ClNO2SSi and a molecular weight of 215.78 g/mol. Its IUPAC name is N-chloro-2-trimethylsilylethanesulfonamide.

Molecular Properties

Compound NameN-chloro-2-trimethylsilylethanesulfonamide
PubChem CID19106976
Molecular FormulaC5H14ClNO2SSi
Molecular Weight215.78 g/mol
Exact Mass215.02
IUPAC NameN-chloro-2-trimethylsilylethanesulfonamide
SMILESC[Si](C)(C)CCS(=O)(=O)NCl
InChIInChI=1S/C5H14ClNO2SSi/c1-11(2,3)5-4-10(8,9)7-6/h7H,4-5H2,1-3H3
InChIKeyOMDJQCLJJZLXDN-UHFFFAOYSA-N
XLogP1.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.78
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-chloro-2-trimethylsilylethanesulfonamide?
The IUPAC name of N-chloro-2-trimethylsilylethanesulfonamide (CID 19106976) is N-chloro-2-trimethylsilylethanesulfonamide.
What is the SMILES notation for N-chloro-2-trimethylsilylethanesulfonamide?
The canonical SMILES for N-chloro-2-trimethylsilylethanesulfonamide is C[Si](C)(C)CCS(=O)(=O)NCl.
What is the InChIKey of N-chloro-2-trimethylsilylethanesulfonamide?
The InChIKey is OMDJQCLJJZLXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14ClNO2SSi/c1-11(2,3)5-4-10(8,9)7-6/h7H,4-5H2,1-3H3.
What are the key properties of N-chloro-2-trimethylsilylethanesulfonamide?
N-chloro-2-trimethylsilylethanesulfonamide has a molecular weight of 215.78 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-2-trimethylsilylethanesulfonamide is sourced from PubChem (CID 19106976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).