Name: Name:4-[4-(4-chlorobenzenesulfonyl)piperazin-1-yl]-4-oxobutanoic acid
Brand: Angene
SKU: AG00IA0E
Rating: 90 (10 reviews)

4-[4-(4-chlorobenzenesulfonyl)piperazin-1-yl]-4-oxobutanoic acid

CAS No.:

560995-22-4

Catalog Number:

AG00IA0E

Molecular Formula:

C14H17ClN2O5S

Molecular Weight:

360.8132

Catalog Number:

AG00IA0E

Chemical Name:

4-[4-(4-chlorobenzenesulfonyl)piperazin-1-yl]-4-oxobutanoic acid

CAS Number:

560995-22-4

Molecular Formula:

C14H17ClN2O5S

Molecular Weight:

360.8132

MDL Number:

MFCD00973895

IUPAC Name:

4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-oxobutanoic acid

InChI:

InChI=1S/C14H17ClN2O5S/c15-11-1-3-12(4-2-11)23(21,22)17-9-7-16(8-10-17)13(18)5-6-14(19)20/h1-4H,5-10H2,(H,19,20)

InChI Key:

NRUGVPOQQGHVOC-UHFFFAOYSA-N

SMILES:

O=C(N1CCN(CC1)S(=O)(=O)c1ccc(cc1)Cl)CCC(=O)O

Complexity:

532

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

360.055g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

360.809g/mol

Monoisotopic Mass:

360.055g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

103A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4