CAS 2645-02-5 | Glycine, N-[(4-methylphenyl)sulfonyl]-, methyl ester | CAS Number 2645-02-5

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2645-02-5 | Glycine, N-[(4-methylphenyl)sulfonyl]-, methyl ester

CAS No: 2645-02-5 Catalog No: AG002T9V MDL No:MFCD00558890

Product Description

Catalog Number:

AG002T9V

Chemical Name:

Glycine, N-[(4-methylphenyl)sulfonyl]-, methyl ester

CAS Number:

2645-02-5

Molecular Formula:

C10H13NO4S

Molecular Weight:

243.2795

MDL Number:

MFCD00558890

IUPAC Name:

methyl 2-[(4-methylphenyl)sulfonylamino]acetate

InChI:

InChI=1S/C10H13NO4S/c1-8-3-5-9(6-4-8)16(13,14)11-7-10(12)15-2/h3-6,11H,7H2,1-2H3

InChI Key:

GYQBPYXMRNEAKZ-UHFFFAOYSA-N

SMILES:

COC(=O)CNS(=O)(=O)c1ccc(cc1)C

Properties

Complexity:

325

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

243.057g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

243.277g/mol

Monoisotopic Mass:

243.057g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501