N-((4-Methylphenyl)sulfonyl)glycine

C9H11NO4SCAS 1080-44-0229.25 g/mol

Open in Covalent MOL file
SOONHOOH
Carboxylic acidSulfonamide

Properties

Molecular formula
C9H11NO4S
Molar mass
229.25 g/mol
Exact mass
229.0409 Da
Melting point
149–150 °C
logP
0.36Crippen estimate
Polar surface area
83.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1080-44-0
SMILES
Cc1ccc(S(=O)(=O)NCC(=O)O)cc1
InChIKey
VDKFCCZUCXYILI-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO4S/c1-7-2-4-8(5-3-7)15(13,14)10-6-9(11)12/h2-5,10H,6H2,1H3,(H,11,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

16 names · show all
  • N-[(4-Methylphenyl)sulfonyl]glycine
  • Glycine, N-[(4-methylphenyl)sulfonyl]-
  • Glycine, N-(p-tolylsulfonyl)-
  • Tosylglycine
  • (p-Toluenesulfonyl)glycine
  • N-(p-Tolylsulfonyl)glycine
  • N-Tosylglycine
  • N-p-Tosylglycine
  • N-(p-Toluenesulfonyl)glycine
  • NSC 25821
  • N-p-(Toluenesulfonyl)aminoacetic acid
  • [[(4-Methylphenyl)sulfonyl]amino]acetic acid
  • [(Toluene-4-sulfonyl)amino]acetic acid
  • 2-(4-Methylphenylsulfonamido)acetic acid
  • 2-[(4-Methylphenyl)sulfonylamino]acetic acid
  • 2-(4-Methylbenzenesulfonamido)acetic acid

Work with N-((4-Methylphenyl)sulfonyl)glycine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl 2-(4-methylphenylsulfonamido)acetate2645-02-561 % similar N-Ethyl-4-methylbenzenesulfonamide80-39-758 % similar (4-Tolylsulphonyl)acetic acid3937-96-056 % similar N-[(4-Methylphenyl)sulfonyl]-L-glutamic acid4816-80-255 % similar N-Benzyl-p-toluenesulfonamide1576-37-051 % similar Tosylurea1694-06-051 % similar N-Butyl-4-methylbenzenesulfonamide1907-65-951 % similar p-Methylhippuric acid27115-50-051 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 2-[(aminosulfonyl)methyl]benzoate112941-26-1 Ethyl 2-(aminosulfonyl)benzoate59777-72-9

Elsewhere

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