N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methanesulfonamide

C13H23NO3SSi — CID 58195079

IUPACN-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methanesulfonamide
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C13H23NO3SSi/c1-13(2,3)19(5,6)17-12-9-7-11(8-10-12)14-18(4,15)16/h7-10,14H,1-6H3
InChIKeyOAZDORNFCJNEBW-UHFFFAOYSA-N
MW301.48 g/mol
LogP3.44
Rot. Bonds4

About N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methanesulfonamide

N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methanesulfonamide (PubChem CID 58195079) has the molecular formula C13H23NO3SSi and a molecular weight of 301.48 g/mol. Its IUPAC name is N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methanesulfonamide
PubChem CID58195079
Molecular FormulaC13H23NO3SSi
Molecular Weight301.48 g/mol
Exact Mass301.12
IUPAC NameN-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methanesulfonamide
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C13H23NO3SSi/c1-13(2,3)19(5,6)17-12-9-7-11(8-10-12)14-18(4,15)16/h7-10,14H,1-6H3
InChIKeyOAZDORNFCJNEBW-UHFFFAOYSA-N
XLogP3.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methanesulfonamide?
The IUPAC name of N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methanesulfonamide (CID 58195079) is N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methanesulfonamide?
The canonical SMILES for N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methanesulfonamide is CC(C)(C)[Si](C)(C)Oc1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methanesulfonamide?
The InChIKey is OAZDORNFCJNEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3SSi/c1-13(2,3)19(5,6)17-12-9-7-11(8-10-12)14-18(4,15)16/h7-10,14H,1-6H3.
What are the key properties of N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methanesulfonamide?
N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methanesulfonamide has a molecular weight of 301.48 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methanesulfonamide is sourced from PubChem (CID 58195079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).