Basic information
- CAS
338396-23-9- Standard SMILES
CN(C)S(=O)(=O)Oc1ccc(C(=O)Nc2cccc(Cl)c2)cc1- InChIKey
HGMAEIAAMVYRPR-UHFFFAOYSA-N- Molecular formula
- C15H15ClN2O4S
- Average molar mass
- 354.8 g/mol
- Monoisotopic mass
- 354.0441058
Names & identifiers
- Preferred name
- 4-[(3-chloroanilino)carbonyl]phenyl-N,N-dimethylsulfamate
- IUPAC
- [4-[(3-chlorophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate
- English name
- 4-[(3-CHLOROANILINO)CARBONYL]PHENYL-N,N-DIMETHYLSULFAMATE
- Molecular formula
- C15H15ClN2O4S
- Molecular weight
- 354.81
Names & synonyms
338396-23-94-[(3-chloroanilino)carbonyl]phenyl-N,N-dimethylsulfamate4-[(3-chlorophenyl)carbamoyl]phenyl N,N-dimethylsulfamate[4-[(3-chlorophenyl)carbamoyl]phenyl] N,N-dimethylsulfamateBionet1_000402MLS000755371CHEMBL1541549HMS569A04HMS2601C03AKOS0050846082F-368SSMR000337751
Show more names
Sulfamic acid, N,N-dimethyl-, 4-[[(3-chlorophenyl)amino]carbonyl]phenyl ester
4-[(3-chlorophenyl)carbamoyl]phenylN,N-dimethylsulfamate
Database identifiers
- CAS
338396-23-9- PubChem CID
- 3757633
- ChEMBL
CHEMBL1541549
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 498
Physicochemical properties
- Density
- 1.424 · 1.424±0.06 g/cm3(Predicted)
- pka
- 12.28 · 12.28±0.70(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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