methyl 2-[[[tert-butyl(dimethyl)silyl]amino]sulfonimidoyl]-5-chlorobenzoate

C14H23ClN2O3SSi — CID 166042412

IUPACmethyl 2-[[[tert-butyl(dimethyl)silyl]amino]sulfonimidoyl]-5-chlorobenzoate
SMILES[H]N=S(=O)(N[Si](C)(C)C(C)(C)C)c1ccc(Cl)cc1C(=O)OC
InChIInChI=1S/C14H23ClN2O3SSi/c1-14(2,3)22(5,6)17-21(16,19)12-8-7-10(15)9-11(12)13(18)20-4/h7-9H,1-6H3,(H2,16,17,19)
InChIKeyOKJRLQZEAFNKLF-UHFFFAOYSA-N
MW362.96 g/mol
LogP4.04
Rot. Bonds4

About methyl 2-[[[tert-butyl(dimethyl)silyl]amino]sulfonimidoyl]-5-chlorobenzoate

methyl 2-[[[tert-butyl(dimethyl)silyl]amino]sulfonimidoyl]-5-chlorobenzoate (PubChem CID 166042412) has the molecular formula C14H23ClN2O3SSi and a molecular weight of 362.96 g/mol. Its IUPAC name is methyl 2-[[[tert-butyl(dimethyl)silyl]amino]sulfonimidoyl]-5-chlorobenzoate.

Molecular Properties

Compound Namemethyl 2-[[[tert-butyl(dimethyl)silyl]amino]sulfonimidoyl]-5-chlorobenzoate
PubChem CID166042412
Molecular FormulaC14H23ClN2O3SSi
Molecular Weight362.96 g/mol
Exact Mass362.09
IUPAC Namemethyl 2-[[[tert-butyl(dimethyl)silyl]amino]sulfonimidoyl]-5-chlorobenzoate
SMILES[H]N=S(=O)(N[Si](C)(C)C(C)(C)C)c1ccc(Cl)cc1C(=O)OC
InChIInChI=1S/C14H23ClN2O3SSi/c1-14(2,3)22(5,6)17-21(16,19)12-8-7-10(15)9-11(12)13(18)20-4/h7-9H,1-6H3,(H2,16,17,19)
InChIKeyOKJRLQZEAFNKLF-UHFFFAOYSA-N
XLogP4.04
TPSA79.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.96
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-[[[tert-butyl(dimethyl)silyl]amino]sulfonimidoyl]-5-chlorobenzoate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 5-chloro-2-methylsulfonylbenzoate
CID 66877882
methyl 5-chloro-2-trimethylsilylbenzoate
CID 175229635
4-chloro-2-methoxycarbonylbenzoic acid
CID 58541939
methyl 5-chloro-2-(sulfamoylamino)benzoate
CID 112573330
methyl 5-chloro-2-(methanesulfonamido)benzoate
CID 18350480
methyl 2,5-dichloro-3-chlorosulfonylbenzoate
CID 43436756
methyl 4-chloro-2-(sulfamoylamino)benzoate
CID 112573367
methyl 3-amino-2-[tert-butyl(dimethyl)silyl]oxy-5-chlorobenzoate
CID 167715726
methyl 5-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]benzoate
CID 122187079
methyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonylamino]benzoate
CID 40715475
methyl 5-(2,4-dichlorophenyl)-2-fluoropyridine-4-carboxylate
CID 133090457
4-chloro-2-methoxycarbonylbenzoic acid;methyl 5-chloro-2-formylbenzoate
CID 162051052

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[[tert-butyl(dimethyl)silyl]amino]sulfonimidoyl]-5-chlorobenzoate?
The IUPAC name of methyl 2-[[[tert-butyl(dimethyl)silyl]amino]sulfonimidoyl]-5-chlorobenzoate (CID 166042412) is methyl 2-[[[tert-butyl(dimethyl)silyl]amino]sulfonimidoyl]-5-chlorobenzoate.
What is the SMILES notation for methyl 2-[[[tert-butyl(dimethyl)silyl]amino]sulfonimidoyl]-5-chlorobenzoate?
The canonical SMILES for methyl 2-[[[tert-butyl(dimethyl)silyl]amino]sulfonimidoyl]-5-chlorobenzoate is [H]N=S(=O)(N[Si](C)(C)C(C)(C)C)c1ccc(Cl)cc1C(=O)OC.
What is the InChIKey of methyl 2-[[[tert-butyl(dimethyl)silyl]amino]sulfonimidoyl]-5-chlorobenzoate?
The InChIKey is OKJRLQZEAFNKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O3SSi/c1-14(2,3)22(5,6)17-21(16,19)12-8-7-10(15)9-11(12)13(18)20-4/h7-9H,1-6H3,(H2,16,17,19).
What are the key properties of methyl 2-[[[tert-butyl(dimethyl)silyl]amino]sulfonimidoyl]-5-chlorobenzoate?
methyl 2-[[[tert-butyl(dimethyl)silyl]amino]sulfonimidoyl]-5-chlorobenzoate has a molecular weight of 362.96 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[[tert-butyl(dimethyl)silyl]amino]sulfonimidoyl]-5-chlorobenzoate is sourced from PubChem (CID 166042412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).