methyl 2-(tert-butylsulfonylamino)-2-(3-chlorophenyl)acetate

C13H18ClNO4S — CID 71541213

IUPACmethyl 2-(tert-butylsulfonylamino)-2-(3-chlorophenyl)acetate
SMILESCOC(=O)C(NS(=O)(=O)C(C)(C)C)c1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO4S/c1-13(2,3)20(17,18)15-11(12(16)19-4)9-6-5-7-10(14)8-9/h5-8,11,15H,1-4H3
InChIKeyUDCBOZIKCDCUTK-UHFFFAOYSA-N
MW319.81 g/mol
LogP2.27
Rot. Bonds4

About methyl 2-(tert-butylsulfonylamino)-2-(3-chlorophenyl)acetate

methyl 2-(tert-butylsulfonylamino)-2-(3-chlorophenyl)acetate (PubChem CID 71541213) has the molecular formula C13H18ClNO4S and a molecular weight of 319.81 g/mol. Its IUPAC name is methyl 2-(tert-butylsulfonylamino)-2-(3-chlorophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(tert-butylsulfonylamino)-2-(3-chlorophenyl)acetate
PubChem CID71541213
Molecular FormulaC13H18ClNO4S
Molecular Weight319.81 g/mol
Exact Mass319.06
IUPAC Namemethyl 2-(tert-butylsulfonylamino)-2-(3-chlorophenyl)acetate
SMILESCOC(=O)C(NS(=O)(=O)C(C)(C)C)c1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO4S/c1-13(2,3)20(17,18)15-11(12(16)19-4)9-6-5-7-10(14)8-9/h5-8,11,15H,1-4H3
InChIKeyUDCBOZIKCDCUTK-UHFFFAOYSA-N
XLogP2.27
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3-chlorophenyl)-2-(2-methylpropylamino)acetate
CID 54894670
(2S)-2-(tert-butylsulfonylamino)-2-phenylacetic acid
CID 104897086
2-(3-chlorophenyl)-2-hydrazinylacetic acid
CID 82125968
methyl 2-(3-chlorophenyl)-2-(trifluoromethoxy)acetate
CID 141114689
1-(3-chlorophenyl)-2-methoxy-2-oxoethanediazonium
CID 175456753
2-acetamido-2-(3-chlorophenyl)acetamide
CID 121264323
2-(3-chlorophenyl)-2-(4-methoxyanilino)acetic acid
CID 60991192
[2-(tert-butylamino)-1-(3-chlorophenyl)-2-oxoethyl]carbamic acid
CID 69109296
methyl (2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propanoate
CID 139647161
methyl 2-[(S)-(3-chlorophenyl)-fluoromethyl]prop-2-enoate
CID 125474605
2-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 61266625
methyl 2-(3-chlorophenyl)-2-(2-nitrophenyl)acetate
CID 23397302

Frequently Asked Questions

What is the IUPAC name of methyl 2-(tert-butylsulfonylamino)-2-(3-chlorophenyl)acetate?
The IUPAC name of methyl 2-(tert-butylsulfonylamino)-2-(3-chlorophenyl)acetate (CID 71541213) is methyl 2-(tert-butylsulfonylamino)-2-(3-chlorophenyl)acetate.
What is the SMILES notation for methyl 2-(tert-butylsulfonylamino)-2-(3-chlorophenyl)acetate?
The canonical SMILES for methyl 2-(tert-butylsulfonylamino)-2-(3-chlorophenyl)acetate is COC(=O)C(NS(=O)(=O)C(C)(C)C)c1cccc(Cl)c1.
What is the InChIKey of methyl 2-(tert-butylsulfonylamino)-2-(3-chlorophenyl)acetate?
The InChIKey is UDCBOZIKCDCUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO4S/c1-13(2,3)20(17,18)15-11(12(16)19-4)9-6-5-7-10(14)8-9/h5-8,11,15H,1-4H3.
What are the key properties of methyl 2-(tert-butylsulfonylamino)-2-(3-chlorophenyl)acetate?
methyl 2-(tert-butylsulfonylamino)-2-(3-chlorophenyl)acetate has a molecular weight of 319.81 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(tert-butylsulfonylamino)-2-(3-chlorophenyl)acetate is sourced from PubChem (CID 71541213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).