2-{(2-Chloroprop-2-en-1-yl)[(4-methylphenyl)sulfonyl]amino}benzoic acid
Basic information
- CAS
29247-71-0- Standard SMILES
C=C(Cl)CN(c1ccccc1C(=O)O)S(=O)(=O)c1ccc(C)cc1- InChIKey
KQTCMVGXIBTFSI-UHFFFAOYSA-N- Molecular formula
- C17H16ClNO4S
- Average molar mass
- 365.8 g/mol
- Monoisotopic mass
- 365.0488569
Names & identifiers
- Preferred name
- 2-{(2-Chloroprop-2-en-1-yl)[(4-methylphenyl)sulfonyl]amino}benzoic acid
- IUPAC
- 2-[2-chloroprop-2-enyl-(4-methylphenyl)sulfonylamino]benzoic acid
Names & synonyms
29247-71-02-{(2-chloroprop-2-en-1-yl)[(4-methylphenyl)sulfonyl]amino}benzoic acidNSC124437DTXSID50298576AKOS024419131NSC-1244372-[N-(2-Chloroprop-2-en-1-yl)-4-methylbenzene-1-sulfonamido]benzoic acid2-{(2-chloro-2-propenyl)[(4-methylphenyl)sulfonyl]amino}benzoic acid
Database identifiers
- CAS
29247-71-0- PubChem CID
- 276459
- DTXSID
DTXSID50298576- EC Number
- 148-091-7
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 564
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
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (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 CategoriesEye Irrit. 2 (100%)
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Related reactions
0 records
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Compound notes
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