Name: Name:2-chloro-1-[4-(3-nitrobenzenesulfonyl)piperazin-1-yl]ethan-1-one
Brand: Angene
SKU: AG019PAY
Rating: 90 (10 reviews)

2-chloro-1-[4-(3-nitrobenzenesulfonyl)piperazin-1-yl]ethan-1-one

CAS No.:

1050909-55-1

Catalog Number:

AG019PAY

Molecular Formula:

C12H14ClN3O5S

Molecular Weight:

347.7747

Catalog Number:

AG019PAY

Chemical Name:

2-chloro-1-[4-(3-nitrobenzenesulfonyl)piperazin-1-yl]ethan-1-one

CAS Number:

1050909-55-1

Molecular Formula:

C12H14ClN3O5S

Molecular Weight:

347.7747

MDL Number:

MFCD09971328

IUPAC Name:

2-chloro-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone

InChI:

InChI=1S/C12H14ClN3O5S/c13-9-12(17)14-4-6-15(7-5-14)22(20,21)11-3-1-2-10(8-11)16(18)19/h1-3,8H,4-7,9H2

InChI Key:

GLHQXTDSKLYAQX-UHFFFAOYSA-N

SMILES:

ClCC(=O)N1CCN(CC1)S(=O)(=O)c1cccc(c1)[N+](=O)[O-]

Complexity:

522

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

347.034g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

347.77g/mol

Monoisotopic Mass:

347.034g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

112A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8