N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]benzenesulfonamide

C17H25NO2SSi — CID 101086919

IUPACN-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]benzenesulfonamide
SMILESCC1=C(C)C(C)C([Si](C)(C)NS(=O)(=O)c2ccccc2)=C1C
InChIInChI=1S/C17H25NO2SSi/c1-12-13(2)15(4)17(14(12)3)22(5,6)18-21(19,20)16-10-8-7-9-11-16/h7-11,14,18H,1-6H3
InChIKeyRODXHMLFBVZPIP-UHFFFAOYSA-N
MW335.55 g/mol
LogP4.01
Rot. Bonds4

About N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]benzenesulfonamide

N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]benzenesulfonamide (PubChem CID 101086919) has the molecular formula C17H25NO2SSi and a molecular weight of 335.55 g/mol. Its IUPAC name is N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]benzenesulfonamide
PubChem CID101086919
Molecular FormulaC17H25NO2SSi
Molecular Weight335.55 g/mol
Exact Mass335.14
IUPAC NameN-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]benzenesulfonamide
SMILESCC1=C(C)C(C)C([Si](C)(C)NS(=O)(=O)c2ccccc2)=C1C
InChIInChI=1S/C17H25NO2SSi/c1-12-13(2)15(4)17(14(12)3)22(5,6)18-21(19,20)16-10-8-7-9-11-16/h7-11,14,18H,1-6H3
InChIKeyRODXHMLFBVZPIP-UHFFFAOYSA-N
XLogP4.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.55
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]benzenesulfonamide?
The IUPAC name of N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]benzenesulfonamide (CID 101086919) is N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]benzenesulfonamide.
What is the SMILES notation for N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]benzenesulfonamide?
The canonical SMILES for N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]benzenesulfonamide is CC1=C(C)C(C)C([Si](C)(C)NS(=O)(=O)c2ccccc2)=C1C.
What is the InChIKey of N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]benzenesulfonamide?
The InChIKey is RODXHMLFBVZPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2SSi/c1-12-13(2)15(4)17(14(12)3)22(5,6)18-21(19,20)16-10-8-7-9-11-16/h7-11,14,18H,1-6H3.
What are the key properties of N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]benzenesulfonamide?
N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]benzenesulfonamide has a molecular weight of 335.55 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]benzenesulfonamide is sourced from PubChem (CID 101086919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).