Name: Name:5-[4-(5-chloro-2-methoxybenzenesulfonyl)piperazin-1-yl]-5-oxopentanoic acid
Brand: Angene
SKU: AG01ACRC
Rating: 90 (10 reviews)

5-[4-(5-chloro-2-methoxybenzenesulfonyl)piperazin-1-yl]-5-oxopentanoic acid

CAS No.:

1803580-64-4

Catalog Number:

AG01ACRC

Molecular Formula:

C16H21ClN2O6S

Molecular Weight:

404.8657

Catalog Number:

AG01ACRC

Chemical Name:

5-[4-(5-chloro-2-methoxybenzenesulfonyl)piperazin-1-yl]-5-oxopentanoic acid

CAS Number:

1803580-64-4

Molecular Formula:

C16H21ClN2O6S

Molecular Weight:

404.8657

MDL Number:

MFCD27500698

IUPAC Name:

5-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-5-oxopentanoic acid

InChI:

InChI=1S/C16H21ClN2O6S/c1-25-13-6-5-12(17)11-14(13)26(23,24)19-9-7-18(8-10-19)15(20)3-2-4-16(21)22/h5-6,11H,2-4,7-10H2,1H3,(H,21,22)

InChI Key:

BJDQXERVJHZBFV-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1S(=O)(=O)N1CCN(CC1)C(=O)CCCC(=O)O)Cl

Complexity:

600

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

404.081g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

404.862g/mol

Monoisotopic Mass:

404.081g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

113A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7