Name: Name:2-{[4-(2-chloroacetyl)piperazin-1-yl]sulfonyl}benzonitrile
Brand: Angene
SKU: AG019P8X
Rating: 90 (10 reviews)

2-{[4-(2-chloroacetyl)piperazin-1-yl]sulfonyl}benzonitrile

CAS No.:

877964-74-4

Catalog Number:

AG019P8X

Molecular Formula:

C13H14ClN3O3S

Molecular Weight:

327.7866

Catalog Number:

AG019P8X

Chemical Name:

2-{[4-(2-chloroacetyl)piperazin-1-yl]sulfonyl}benzonitrile

CAS Number:

877964-74-4

Molecular Formula:

C13H14ClN3O3S

Molecular Weight:

327.7866

MDL Number:

MFCD07850262

IUPAC Name:

2-[4-(2-chloroacetyl)piperazin-1-yl]sulfonylbenzonitrile

InChI:

InChI=1S/C13H14ClN3O3S/c14-9-13(18)16-5-7-17(8-6-16)21(19,20)12-4-2-1-3-11(12)10-15/h1-4H,5-9H2

InChI Key:

HKTJYSFJMYFISF-UHFFFAOYSA-N

SMILES:

ClCC(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1C#N

Complexity:

529

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

327.044g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

327.783g/mol

Monoisotopic Mass:

327.044g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

89.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7