Basic information
- CAS
6628-11-1- Standard SMILES
O=C(O)c1cccc(S(=O)(=O)N(CCO)CCO)c1- InChIKey
VSAROEOXRAJEFU-UHFFFAOYSA-N- Molecular formula
- C11H15NO6S
- Average molar mass
- 289.31 g/mol
- Monoisotopic mass
- 289.06200837
Overview
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Names & identifiers
- Preferred name
- 3-[Bis(2-hydroxyethyl)sulfamoyl]benzoic acid
- IUPAC
- 3-[bis(2-hydroxyethyl)sulfamoyl]benzoic acid
- English name
- N,N-Bis(2-hydroxyethyl)-3-carboxybenzenesulfonamide
- Molecular formula
- C11H15NO6S
- Molecular weight
- 289.3
Names & synonyms
6628-11-13-[bis(2-hydroxyethyl)sulfamoyl]benzoic acidN,N-BIS(2-HYDROXYETHYL)-3-CARBOXYBENZENESULFONAMIDENSC60299CBMicro_036958Cambridge id 5916749NCIOpen2_002432Oprea1_088635Oprea1_723397SCHEMBL6671420DTXSID60274422NSC-60299
Show more names
VSAROEOXRAJEFU-UHFFFAOYSA-NBenzoic acid, 3-[[bis(2-hydroxyethyl)amino]sulfonyl]-
NSC163091AKOS009143118NSC-163091BIM-0037075.P001SR-010002232153-{[bis(2-hydroxyethyl)amino]sulfonyl}benzoic acidSR-01000223215-1
Database identifiers
- CAS
6628-11-1- PubChem CID
- 4280
- DTXSID
DTXSID60274422
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 384
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
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-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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