1-[tert-butyl(dimethyl)silyl]indole-6-sulfonyl chloride

C14H20ClNO2SSi — CID 86775152

IUPAC1-[tert-butyl(dimethyl)silyl]indole-6-sulfonyl chloride
SMILESCC(C)(C)[Si](C)(C)n1ccc2ccc(S(=O)(=O)Cl)cc21
InChIInChI=1S/C14H20ClNO2SSi/c1-14(2,3)20(4,5)16-9-8-11-6-7-12(10-13(11)16)19(15,17)18/h6-10H,1-5H3
InChIKeyUCWGBKBOBCTNJJ-UHFFFAOYSA-N
MW329.93 g/mol
LogP4.42
Rot. Bonds2

About 1-[tert-butyl(dimethyl)silyl]indole-6-sulfonyl chloride

1-[tert-butyl(dimethyl)silyl]indole-6-sulfonyl chloride (PubChem CID 86775152) has the molecular formula C14H20ClNO2SSi and a molecular weight of 329.93 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]indole-6-sulfonyl chloride.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]indole-6-sulfonyl chloride
PubChem CID86775152
Molecular FormulaC14H20ClNO2SSi
Molecular Weight329.93 g/mol
Exact Mass329.07
IUPAC Name1-[tert-butyl(dimethyl)silyl]indole-6-sulfonyl chloride
SMILESCC(C)(C)[Si](C)(C)n1ccc2ccc(S(=O)(=O)Cl)cc21
InChIInChI=1S/C14H20ClNO2SSi/c1-14(2,3)20(4,5)16-9-8-11-6-7-12(10-13(11)16)19(15,17)18/h6-10H,1-5H3
InChIKeyUCWGBKBOBCTNJJ-UHFFFAOYSA-N
XLogP4.42
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.93
LogP ≤ 54.42
H-Bond Donors ≤ 50
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 1-[tert-butyl(dimethyl)silyl]indole-6-sulfonyl chloride?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]indole-6-sulfonyl chloride (CID 86775152) is 1-[tert-butyl(dimethyl)silyl]indole-6-sulfonyl chloride.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]indole-6-sulfonyl chloride?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]indole-6-sulfonyl chloride is CC(C)(C)[Si](C)(C)n1ccc2ccc(S(=O)(=O)Cl)cc21.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]indole-6-sulfonyl chloride?
The InChIKey is UCWGBKBOBCTNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2SSi/c1-14(2,3)20(4,5)16-9-8-11-6-7-12(10-13(11)16)19(15,17)18/h6-10H,1-5H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]indole-6-sulfonyl chloride?
1-[tert-butyl(dimethyl)silyl]indole-6-sulfonyl chloride has a molecular weight of 329.93 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]indole-6-sulfonyl chloride is sourced from PubChem (CID 86775152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).