Name: Name:3-[(4-acetylpiperazin-1-yl)sulfonyl]benzoic acid
Brand: Angene
SKU: AG00IA54
Rating: 90 (10 reviews)

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

CAS No.:

568577-57-1

Catalog Number:

AG00IA54

Molecular Formula:

C13H16N2O5S

Molecular Weight:

312.3415

Catalog Number:

AG00IA54

Chemical Name:

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

CAS Number:

568577-57-1

Molecular Formula:

C13H16N2O5S

Molecular Weight:

312.3415

MDL Number:

MFCD04607183

IUPAC Name:

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

InChI:

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

InChI Key:

IIRUALMFSFVLCB-UHFFFAOYSA-N

SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)O

Complexity:

505

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