Name: Name:Benzoic acid, 2-(4-methyl-1-piperazinyl)-4-(methylsulfonyl)-
Brand: Angene
SKU: AG000PJ4
Rating: 90 (10 reviews)

Benzoic acid, 2-(4-methyl-1-piperazinyl)-4-(methylsulfonyl)-

CAS No.:

1197193-10-4

Catalog Number:

AG000PJ4

Molecular Formula:

C13H18N2O4S

Molecular Weight:

298.3580

Catalog Number:

AG000PJ4

Chemical Name:

Benzoic acid, 2-(4-methyl-1-piperazinyl)-4-(methylsulfonyl)-

CAS Number:

1197193-10-4

Molecular Formula:

C13H18N2O4S

Molecular Weight:

298.3580

MDL Number:

MFCD13191616

IUPAC Name:

2-(4-methylpiperazin-1-yl)-4-methylsulfonylbenzoic acid

InChI:

InChI=1S/C13H18N2O4S/c1-14-5-7-15(8-6-14)12-9-10(20(2,18)19)3-4-11(12)13(16)17/h3-4,9H,5-8H2,1-2H3,(H,16,17)

InChI Key:

AFDDQQRUJDNNQM-UHFFFAOYSA-N

SMILES:

CN1CCN(CC1)c1cc(ccc1C(=O)O)S(=O)(=O)C

Complexity:

452

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

298.099g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

298.357g/mol

Monoisotopic Mass:

298.099g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

86.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-1.7