Name: Name:2-chloro-1-[4-(2,6-difluorobenzenesulfonyl)piperazin-1-yl]ethan-1-one
Brand: Angene
SKU: AG019P9N
Rating: 90 (10 reviews)

2-chloro-1-[4-(2,6-difluorobenzenesulfonyl)piperazin-1-yl]ethan-1-one

CAS No.:

923799-92-2

Catalog Number:

AG019P9N

Molecular Formula:

C12H13ClF2N2O3S

Molecular Weight:

338.7580

Catalog Number:

AG019P9N

Chemical Name:

2-chloro-1-[4-(2,6-difluorobenzenesulfonyl)piperazin-1-yl]ethan-1-one

CAS Number:

923799-92-2

Molecular Formula:

C12H13ClF2N2O3S

Molecular Weight:

338.7580

MDL Number:

MFCD08444111

IUPAC Name:

2-chloro-1-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethanone

InChI:

InChI=1S/C12H13ClF2N2O3S/c13-8-11(18)16-4-6-17(7-5-16)21(19,20)12-9(14)2-1-3-10(12)15/h1-3H,4-8H2

InChI Key:

KNPLACWNGKQKQV-UHFFFAOYSA-N

SMILES:

ClCC(=O)N1CCN(CC1)S(=O)(=O)c1c(F)cccc1F

Complexity:

467

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

338.03g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

338.754g/mol

Monoisotopic Mass:

338.03g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2