| CAS Number | 129513-94-6 |
| Catalog Number | AG019N60 |
| Chemical Name | phenyl N-(3-sulfamoylphenyl)carbamate |
| IUPAC Name | phenyl N-(3-sulfamoylphenyl)carbamate |
| InChI | InChI=1S/C13H12N2O4S/c14-20(17,18)12-8-4-5-10(9-12)15-13(16)19-11-6-2-1-3-7-11/h1-9H,(H,15,16)(H2,14,17,18) |
| InChI Key | BPTSGABACXLUHY-UHFFFAOYSA-N |
| MDL Number | MFCD11505453 |
| Molecular Formula | C13H12N2O4S |
| Molecular Weight | 292.3104 |
| SMILES | NS(C1=CC(NC(OC2=CC=CC=C2)=O)=CC=C1)(=O)=O |
| Synonyms | phenyl N-(3-sulfamoylphenyl)carbamate,
phenyl 3-(aminosulfonyl)phenylcarbamate,
129513-94-6,
(3-sulfamoyl-phenyl)-carbamic acid phenyl ester,
SCHEMBL242636,
AC1Q55A4,
CTK7G9557,
BPTSGABACXLUHY-UHFFFAOYSA-N,
ZINC32627622,
AKOS007997718,
MCULE-3287915020,
NE23528,
EN300-39484,
|
| Complexity | 426 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.309g/mol |
| Monoisotopic Mass | 292.052g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number