Name: Name:2-chloro-1-[4-(4-nitrobenzenesulfonyl)piperazin-1-yl]ethan-1-one
Brand: Angene
SKU: AG019PAX
Rating: 90 (10 reviews)

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

CAS No.:

1087784-07-3

Catalog Number:

AG019PAX

Molecular Formula:

C12H14ClN3O5S

Molecular Weight:

347.7747

Catalog Number:

AG019PAX

Chemical Name:

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

CAS Number:

1087784-07-3

Molecular Formula:

C12H14ClN3O5S

Molecular Weight:

347.7747

MDL Number:

MFCD11099379

IUPAC Name:

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

InChI:

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

InChI Key:

WQPKUXPYTMDDQO-UHFFFAOYSA-N

SMILES:

ClCC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]

Complexity:

514

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