Name: Name:4-[(4-acetylpiperazin-1-yl)sulfonyl]benzoic acid
Brand: Angene
SKU: AG019OYP
Rating: 90 (10 reviews)

4-[(4-acetylpiperazin-1-yl)sulfonyl]benzoic acid

CAS No.:

881932-99-6

Catalog Number:

AG019OYP

Molecular Formula:

C13H16N2O5S

Molecular Weight:

312.3415

Catalog Number:

AG019OYP

Chemical Name:

4-[(4-acetylpiperazin-1-yl)sulfonyl]benzoic acid

CAS Number:

881932-99-6

Molecular Formula:

C13H16N2O5S

Molecular Weight:

312.3415

MDL Number:

MFCD08163085

IUPAC Name:

4-(4-acetylpiperazin-1-yl)sulfonylbenzoic acid

InChI:

InChI=1S/C13H16N2O5S/c1-10(16)14-6-8-15(9-7-14)21(19,20)12-4-2-11(3-5-12)13(17)18/h2-5H,6-9H2,1H3,(H,17,18)

InChI Key:

JMLNAYZIFSGIBV-UHFFFAOYSA-N

SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)O

Complexity:

497

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

312.078g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

312.34g/mol

Monoisotopic Mass:

312.078g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

103A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.1