N,N-Bis(2-hydroxyethyl)benzenesulfonamide - CAS 13127-79-2
Catalog: |
BB072939 |
Product Name: |
N,N-Bis(2-hydroxyethyl)benzenesulfonamide |
CAS: |
13127-79-2 |
Synonyms: |
N,N-bis(2-hydroxyethyl)benzenesulfonamide; Benzenesulfonamide, N,N-bis(2-hydroxyethyl)- |
IUPAC Name: | N,N-bis(2-hydroxyethyl)benzenesulfonamide |
Description: | N,N-Bis(2-hydroxyethyl)benzenesulfonamide is used in the synthesis of N,N-Bis(2-chloroethyl)benzenesulfonamide (B418910), which is a novel intermediate in the synthesis of Cetirizine (C281100). |
Molecular Weight: | 245.3 |
Molecular Formula: | C10H15NO4S |
Canonical SMILES: | C1=CC=C(C=C1)S(=O)(=O)N(CCO)CCO |
InChI: | InChI=1S/C10H15NO4S/c12-8-6-11(7-9-13)16(14,15)10-4-2-1-3-5-10/h1-5,12-13H,6-9H2 |
InChI Key: | DQHSFCBOCSEJGK-UHFFFAOYSA-N |
Complexity: | 274 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.07217913 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.07217913 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 86.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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