Name: Name:1-[3,5-bis(trifluoromethyl)benzenesulfonyl]piperazine hydrochloride
Brand: Angene
SKU: AG019INI
Rating: 90 (10 reviews)

1-[3,5-bis(trifluoromethyl)benzenesulfonyl]piperazine hydrochloride

CAS No.:

97630-12-1

Catalog Number:

AG019INI

Molecular Formula:

C12H13ClF6N2O2S

Molecular Weight:

398.7522

Catalog Number:

AG019INI

Chemical Name:

1-[3,5-bis(trifluoromethyl)benzenesulfonyl]piperazine hydrochloride

CAS Number:

97630-12-1

Molecular Formula:

C12H13ClF6N2O2S

Molecular Weight:

398.7522

MDL Number:

MFCD01755933

IUPAC Name:

1-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride

InChI:

InChI=1S/C12H12F6N2O2S.ClH/c13-11(14,15)8-5-9(12(16,17)18)7-10(6-8)23(21,22)20-3-1-19-2-4-20;/h5-7,19H,1-4H2;1H

InChI Key:

LREFTIFOIBSXDQ-UHFFFAOYSA-N

SMILES:

FC(c1cc(cc(c1)C(F)(F)F)S(=O)(=O)N1CCNCC1)(F)F.Cl

Complexity:

485

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

398.029g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

398.748g/mol

Monoisotopic Mass:

398.029g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: