Name: Name:3-[(4-acetylpiperazin-1-yl)sulfonyl]-4-fluorobenzoic acid
Brand: Angene
SKU: AG01B92B
Rating: 90 (10 reviews)

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

CAS No.:

1053994-99-2

Catalog Number:

AG01B92B

Molecular Formula:

C13H15FN2O5S

Molecular Weight:

330.3320

Catalog Number:

AG01B92B

Chemical Name:

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

CAS Number:

1053994-99-2

Molecular Formula:

C13H15FN2O5S

Molecular Weight:

330.3320

MDL Number:

MFCD16559494

IUPAC Name:

3-(4-acetylpiperazin-1-yl)sulfonyl-4-fluorobenzoic acid

InChI:

InChI=1S/C13H15FN2O5S/c1-9(17)15-4-6-16(7-5-15)22(20,21)12-8-10(13(18)19)2-3-11(12)14/h2-3,8H,4-7H2,1H3,(H,18,19)

InChI Key:

RNCUIJZVSSVPQR-UHFFFAOYSA-N

SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)c1cc(ccc1F)C(=O)O

Complexity:

539

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

330.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

330.33g/mol

Monoisotopic Mass:

330.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

103A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: