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1417794-52-5 | Benzenesulfonamide, 2,3-dichloro-N-ethyl-N-(2-pyrrolidinylmethyl)-, hydrochloride (1:1)
CAS No: 1417794-52-5 Catalog No: AG001H5X MDL No:MFCD22631712
Product Description
Catalog Number:
AG001H5X
Chemical Name:
Benzenesulfonamide, 2,3-dichloro-N-ethyl-N-(2-pyrrolidinylmethyl)-, hydrochloride (1:1)
CAS Number:
1417794-52-5
Molecular Formula:
C13H19Cl3N2O2S
Molecular Weight:
373.7262
MDL Number:
MFCD22631712
IUPAC Name:
2,3-dichloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
InChI:
InChI=1S/C13H18Cl2N2O2S.ClH/c1-2-17(9-10-5-4-8-16-10)20(18,19)12-7-3-6-11(14)13(12)15;/h3,6-7,10,16H,2,4-5,8-9H2,1H3;1H
InChI Key:
JZRAYRXTUFXOHB-UHFFFAOYSA-N
SMILES:
CCN(S(=O)(=O)c1cccc(c1Cl)Cl)CC1CCCN1.Cl
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.023g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
373.717g/mol
Monoisotopic Mass:
372.023g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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