AG019GK5

Name: 3-[(4-Benzylpiperazin-1-yl)sulfonyl]benzoic acid
Brand: Angene Chemical
SKU: AG019GK5

327072-92-4 | 3-[(4-Benzylpiperazin-1-yl)sulfonyl]benzoic acid

AG019GK5

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CAS Number	327072-92-4
Catalog Number	AG019GK5
Chemical Name	3-[(4-Benzylpiperazin-1-yl)sulfonyl]benzoic acid
IUPAC Name	3-(4-benzylpiperazin-1-yl)sulfonylbenzoic acid
InChI	InChI=1S/C18H20N2O4S/c21-18(22)16-7-4-8-17(13-16)25(23,24)20-11-9-19(10-12-20)14-15-5-2-1-3-6-15/h1-8,13H,9-12,14H2,(H,21,22)
InChI Key	DXJNRHDOUFXHOZ-UHFFFAOYSA-N
MDL Number	MFCD02706751
Molecular Formula	C18H20N2O4S
Molecular Weight	360.4274
SMILES	OC(C1=CC(S(N2CCN(CC3=CC=CC=C3)CC2)(=O)=O)=CC=C1)=O
Synonyms	3-[(4-benzylpiperazin-1-yl)sulfonyl]benzoic acid, 3-(4-Benzyl-piperazine-1-sulfonyl)-benzoic acid, 327072-92-4, AC1M4YTK, 3-(4-benzylpiperazin-1-yl)sulfonylbenzoic Acid, Oprea1_034280, AC1Q73J3, SCHEMBL4252561, CTK7I8764, ZINC3186705, AKOS000114753, MCULE-4394172632, NE12211, EN300-00424, SR-01000354677, SR-01000354677-1, Z45617959, CID2318448,

Complexity	546
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	360.114g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	360.428g/mol
Monoisotopic Mass	360.114g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	86.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.4

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited