Name: Name:2-chloro-1-[4-(3,4-dimethoxybenzenesulfonyl)piperazin-1-yl]ethan-1-one
Brand: Angene
SKU: AG019P8E
Rating: 90 (10 reviews)

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

CAS No.:

925407-36-9

Catalog Number:

AG019P8E

Molecular Formula:

C14H19ClN2O5S

Molecular Weight:

362.8291

Catalog Number:

AG019P8E

Chemical Name:

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

CAS Number:

925407-36-9

Molecular Formula:

C14H19ClN2O5S

Molecular Weight:

362.8291

MDL Number:

MFCD05862826

IUPAC Name:

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

InChI:

InChI=1S/C14H19ClN2O5S/c1-21-12-4-3-11(9-13(12)22-2)23(19,20)17-7-5-16(6-8-17)14(18)10-15/h3-4,9H,5-8,10H2,1-2H3

InChI Key:

YXKBRRCIWBPNQM-UHFFFAOYSA-N

SMILES:

ClCC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(c(c1)OC)OC

Complexity:

502

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

362.07g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

362.825g/mol

Monoisotopic Mass:

362.07g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

84.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9