2-(2-(Methylsulfonamido)phenyl)acetic acid
Basic information
- CAS
1047724-24-2- Standard SMILES
CS(=O)(=O)Nc1ccccc1CC(=O)O- InChIKey
XFQVSOVZZYQXDH-UHFFFAOYSA-N- Molecular formula
- C9H11NO4S
- Average molar mass
- 229.26 g/mol
- Monoisotopic mass
- 229.04087901
Names & identifiers
- Preferred name
- 2-(2-(Methylsulfonamido)phenyl)acetic acid
- IUPAC
- 2-[2-(methanesulfonamido)phenyl]acetic acid
- English name
- 2-(2-(Methylsulfonamido)phenyl)acetic Acid
- Molecular formula
- C9H11NO4S
- Molecular weight
- 229.25
Names & synonyms
1047724-24-22-(2-(METHYLSULFONAMIDO)PHENYL)ACETIC ACID2-[2-(Methylsulfonamido)phenyl]acetic AcidMFCD110523422-[2-(methanesulfonamido)phenyl]acetic acid2-(2-methanesulfonamidophenyl)acetic acidBenzeneacetic acid, 2-[(methylsulfonyl)amino]-2-[2-(Methylsulfonamido)phenyl]aceticAcidSCHEMBL7888388DTXSID10611146XRB72424AKOS008152524
Show more names
2-[(Methylsulfonyl)amino]benzeneacetic acid
[2-(Methanesulfonamido)phenyl]acetic acidAS-31502SY0035552-(2-Methylsulfonamido)phenyl)acetic acidCS-0205827{2-[(Methanesulfonyl)amino]phenyl}acetic acid{2-[(Methylsulfonyl)amino]phenyl}acetic acidEN300-74508
Database identifiers
- CAS
1047724-24-2- PubChem CID
- 21182017
- DTXSID
DTXSID10611146
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 319
Physicochemical properties
- Boiling point
- 421.7 · 421.7±47.0 °C(Predicted)
- Density
- 1.456 · 1.456±0.06 g/cm3(Predicted)
- pka
- 4.08 · 4.08±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
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Related reactions
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Compound notes
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