2-[tert-butyl(dimethyl)silyl]oxy-N-(4-chlorophenyl)sulfonylpropanamide

C15H24ClNO4SSi — CID 91696420

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-N-(4-chlorophenyl)sulfonylpropanamide
SMILESCC(O[Si](C)(C)C(C)(C)C)C(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H24ClNO4SSi/c1-11(21-23(5,6)15(2,3)4)14(18)17-22(19,20)13-9-7-12(16)8-10-13/h7-11H,1-6H3,(H,17,18)
InChIKeyQOTPZTYTVCEUHB-UHFFFAOYSA-N
MW377.97 g/mol
LogP3.56
Rot. Bonds5

About 2-[tert-butyl(dimethyl)silyl]oxy-N-(4-chlorophenyl)sulfonylpropanamide

2-[tert-butyl(dimethyl)silyl]oxy-N-(4-chlorophenyl)sulfonylpropanamide (PubChem CID 91696420) has the molecular formula C15H24ClNO4SSi and a molecular weight of 377.97 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-N-(4-chlorophenyl)sulfonylpropanamide.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-N-(4-chlorophenyl)sulfonylpropanamide
PubChem CID91696420
Molecular FormulaC15H24ClNO4SSi
Molecular Weight377.97 g/mol
Exact Mass377.09
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-N-(4-chlorophenyl)sulfonylpropanamide
SMILESCC(O[Si](C)(C)C(C)(C)C)C(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H24ClNO4SSi/c1-11(21-23(5,6)15(2,3)4)14(18)17-22(19,20)13-9-7-12(16)8-10-13/h7-11H,1-6H3,(H,17,18)
InChIKeyQOTPZTYTVCEUHB-UHFFFAOYSA-N
XLogP3.56
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.97
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Chloro-N-(2-hydroxypropionyl)-benzenesulfonamide
CID 3823677
4-Chloro-N-(2-hydroxypropionyl)-benzenesulfonamide, O-methyl-
CID 47347573
4-Chloro-N-(2-hydroxypropionyl)-benzenesulfonamide, O-acetyl-
CID 91691714
4-Chloro-N-(2-hydroxypropionyl)-benzenesulfonamide, N,O-di(trimethylsilyl)-
CID 91696565
N-(4-Chlorobenzenesulfonyl)-2-hydroxypropanamide, 2TBDMS derivative
CID 91697066
Benzenesulfonamide, 4-chloro, N-trimethylsilyl-N-(3-butenoyl)-
CID 91697214
4-Chloro-N-(2-hydroxypropionyl)-benzenesulfonamide, O-trimethylsilyl-
CID 91709813
Benzenesulfonamide, 4-chloro, N-tert.-butyldimethylsilyl-N-(3-butenoyl)-
CID 91742350
2-but-3-enoxy-N-(4-chloro-2-fluorophenyl)sulfonylpropanamide
CID 53593147
(2S)-2-but-3-enoxy-N-(4-chloro-2-fluorophenyl)sulfonylpropanamide
CID 95161451
(2R)-2-but-3-enoxy-N-(4-chloro-2-fluorophenyl)sulfonylpropanamide
CID 95212278
4-chloro-N-(3-triethoxysilylpropyl)benzenesulfonamide
CID 153771386

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-N-(4-chlorophenyl)sulfonylpropanamide?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-N-(4-chlorophenyl)sulfonylpropanamide (CID 91696420) is 2-[tert-butyl(dimethyl)silyl]oxy-N-(4-chlorophenyl)sulfonylpropanamide.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-N-(4-chlorophenyl)sulfonylpropanamide?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-N-(4-chlorophenyl)sulfonylpropanamide is CC(O[Si](C)(C)C(C)(C)C)C(=O)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-N-(4-chlorophenyl)sulfonylpropanamide?
The InChIKey is QOTPZTYTVCEUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO4SSi/c1-11(21-23(5,6)15(2,3)4)14(18)17-22(19,20)13-9-7-12(16)8-10-13/h7-11H,1-6H3,(H,17,18).
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-N-(4-chlorophenyl)sulfonylpropanamide?
2-[tert-butyl(dimethyl)silyl]oxy-N-(4-chlorophenyl)sulfonylpropanamide has a molecular weight of 377.97 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-N-(4-chlorophenyl)sulfonylpropanamide is sourced from PubChem (CID 91696420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).