phenyl N-(3-sulfamoylphenyl)carbamate
Basic information
- CAS
129513-94-6- Standard SMILES
NS(=O)(=O)c1cccc(NC(=O)Oc2ccccc2)c1- InChIKey
BPTSGABACXLUHY-UHFFFAOYSA-N- Molecular formula
- C13H12N2O4S
- Average molar mass
- 292.31 g/mol
- Monoisotopic mass
- 292.05177804
Names & identifiers
- Preferred name
- phenyl N-(3-sulfamoylphenyl)carbamate
- IUPAC
- phenyl N-(3-sulfamoylphenyl)carbamate
- English name
- phenyl N-(3-sulfamoylphenyl)carbamate
- Molecular formula
- C13H12N2O4S
- Molecular weight
- 292.31
Names & synonyms
phenyl N-(3-sulfamoylphenyl)carbamate129513-94-6phenyl 3-(aminosulfonyl)phenylcarbamate(3-sulfamoyl-phenyl)-carbamic acid phenyl esterSCHEMBL242636BPTSGABACXLUHY-UHFFFAOYSA-NEFA51394phenylN-(3-sulfamoylphenyl)carbamateAKOS007997718NCGC00665018-01DB-336047CS-0248246
Show more names
Carbamic acid, [3-(aminosulfonyl)phenyl]-, phenyl ester (9CI)
EN300-39484G25197Z31705744
Database identifiers
- CAS
129513-94-6- PubChem CID
- 39870106
- EC Number
- 155-660-3
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 426
Physicochemical properties
- Density
- 1.437 · 1.437±0.06 g/cm3(Predicted)
- pka
- 10.04 · 10.04±0.60(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
4 records
Compound notes
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