Basic information
- CAS
296800-00-5- Standard SMILES
Cc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc(Cl)c2)cc1- InChIKey
JLTQNQSARCUPGB-UHFFFAOYSA-N- Molecular formula
- C15H14ClNO4S
- Average molar mass
- 339.8 g/mol
- Monoisotopic mass
- 339.0332068
Names & identifiers
- Preferred name
- N-(3-chlorophenyl)-N-[(4-methylphenyl)sulfonyl]glycine
- IUPAC
- 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetic acid
- English name
- [(3-Chloro-phenyl)-(toluene-4-sulfonyl)-amino]-acetic acid
- Molecular formula
- C15H14ClNO4S
- Molecular weight
- 339.79
Names & synonyms
296800-00-5N-(3-chlorophenyl)-N-[(4-methylphenyl)sulfonyl]glycineN-(3-chlorophenyl)-N-tosylglycine2-(N-(3-Chlorophenyl)-4-methylphenylsulfonamido)acetic acid2-[N-(3-chlorophenyl)4-methylbenzenesulfonamido]acetic acidglycine, N-(3-chlorophenyl)-N-[(4-methylphenyl)sulfonyl]-MFCD00229763NSC147655Cambridge id 5628217SCHEMBL78130732-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetic acidALBB-029393
Show more names
ST5234445BAS 00550498[(3-Chloro-phenyl)-(toluene-4-sulfonyl)-amino]-acetic acid2-[(3-chlorophenyl)-(4-methylphenyl)sulfonylamino]acetic acid2-[(3-chlorophenyl)-(4-methylphenyl)sulfonyl-amino]acetic acid2-[(3-chlorophenyl)-(4-methylphenyl)sulfonyl-amino]ethanoic acid
((3-CHLORO-PHENYL)-(TOLUENE-4-SULFONYL)-AMINO)-ACETIC ACIDSTK027440AKOS000297577NSC-147655NCGC00093393-01LS-10358CS-0323756ST50234445
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 482
Physicochemical properties
- Boiling point
- 539.6 · 539.6±60.0 °C(Predicted)
- Density
- 1.437 · 1.437±0.06 g/cm3(Predicted)
- pka
- 3.05 · 3.05±0.10(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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