Name: Name:3-[(4-benzylpiperazin-1-yl)sulfonyl]benzoic acid
Brand: Angene
SKU: AG019GK5
Rating: 90 (10 reviews)

3-[(4-benzylpiperazin-1-yl)sulfonyl]benzoic acid

CAS No.:

327072-92-4

Catalog Number:

AG019GK5

Molecular Formula:

C18H20N2O4S

Molecular Weight:

360.4274

Catalog Number:

AG019GK5

Chemical Name:

3-[(4-benzylpiperazin-1-yl)sulfonyl]benzoic acid

CAS Number:

327072-92-4

Molecular Formula:

C18H20N2O4S

Molecular Weight:

360.4274

MDL Number:

MFCD02706751

IUPAC Name:

3-(4-benzylpiperazin-1-yl)sulfonylbenzoic acid

InChI:

InChI=1S/C18H20N2O4S/c21-18(22)16-7-4-8-17(13-16)25(23,24)20-11-9-19(10-12-20)14-15-5-2-1-3-6-15/h1-8,13H,9-12,14H2,(H,21,22)

InChI Key:

DXJNRHDOUFXHOZ-UHFFFAOYSA-N

SMILES:

OC(=O)c1cccc(c1)S(=O)(=O)N1CCN(CC1)Cc1ccccc1

Complexity:

546

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

360.114g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

360.428g/mol

Monoisotopic Mass:

360.114g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

86.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.4