N-[3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-chloroethyl]-4-fluorophenyl]methanesulfonamide

C15H25ClFNO3SSi — CID 10571930

IUPACN-[3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-chloroethyl]-4-fluorophenyl]methanesulfonamide
SMILESCC(C)(C)[Si](C)(C)O[C@@H](CCl)c1cc(NS(C)(=O)=O)ccc1F
InChIInChI=1S/C15H25ClFNO3SSi/c1-15(2,3)23(5,6)21-14(10-16)12-9-11(7-8-13(12)17)18-22(4,19)20/h7-9,14,18H,10H2,1-6H3/t14-/m0/s1
InChIKeyJQCLUNQHSNLPLH-AWEZNQCLSA-N
MW381.97 g/mol
LogP4.50
Rot. Bonds6

About N-[3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-chloroethyl]-4-fluorophenyl]methanesulfonamide

N-[3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-chloroethyl]-4-fluorophenyl]methanesulfonamide (PubChem CID 10571930) has the molecular formula C15H25ClFNO3SSi and a molecular weight of 381.97 g/mol. Its IUPAC name is N-[3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-chloroethyl]-4-fluorophenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-chloroethyl]-4-fluorophenyl]methanesulfonamide
PubChem CID10571930
Molecular FormulaC15H25ClFNO3SSi
Molecular Weight381.97 g/mol
Exact Mass381.10
IUPAC NameN-[3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-chloroethyl]-4-fluorophenyl]methanesulfonamide
SMILESCC(C)(C)[Si](C)(C)O[C@@H](CCl)c1cc(NS(C)(=O)=O)ccc1F
InChIInChI=1S/C15H25ClFNO3SSi/c1-15(2,3)23(5,6)21-14(10-16)12-9-11(7-8-13(12)17)18-22(4,19)20/h7-9,14,18H,10H2,1-6H3/t14-/m0/s1
InChIKeyJQCLUNQHSNLPLH-AWEZNQCLSA-N
XLogP4.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.97
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-chloroethyl]-4-fluorophenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-chloroethyl]-4-fluorophenyl]methanesulfonamide?
The IUPAC name of N-[3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-chloroethyl]-4-fluorophenyl]methanesulfonamide (CID 10571930) is N-[3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-chloroethyl]-4-fluorophenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-chloroethyl]-4-fluorophenyl]methanesulfonamide?
The canonical SMILES for N-[3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-chloroethyl]-4-fluorophenyl]methanesulfonamide is CC(C)(C)[Si](C)(C)O[C@@H](CCl)c1cc(NS(C)(=O)=O)ccc1F.
What is the InChIKey of N-[3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-chloroethyl]-4-fluorophenyl]methanesulfonamide?
The InChIKey is JQCLUNQHSNLPLH-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H25ClFNO3SSi/c1-15(2,3)23(5,6)21-14(10-16)12-9-11(7-8-13(12)17)18-22(4,19)20/h7-9,14,18H,10H2,1-6H3/t14-/m0/s1.
What are the key properties of N-[3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-chloroethyl]-4-fluorophenyl]methanesulfonamide?
N-[3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-chloroethyl]-4-fluorophenyl]methanesulfonamide has a molecular weight of 381.97 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-chloroethyl]-4-fluorophenyl]methanesulfonamide is sourced from PubChem (CID 10571930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).