AG00I6C5

Name: 3-[(4-phenylpiperazin-1-yl)sulfonyl]benzoic acid
Brand: Angene Chemical
SKU: AG00I6C5

329932-88-9 | 3-[(4-phenylpiperazin-1-yl)sulfonyl]benzoic acid

AG00I6C5

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CAS Number	329932-88-9
Catalog Number	AG00I6C5
Chemical Name	3-[(4-phenylpiperazin-1-yl)sulfonyl]benzoic acid
IUPAC Name	3-(4-phenylpiperazin-1-yl)sulfonylbenzoic acid
InChI	InChI=1S/C17H18N2O4S/c20-17(21)14-5-4-8-16(13-14)24(22,23)19-11-9-18(10-12-19)15-6-2-1-3-7-15/h1-8,13H,9-12H2,(H,20,21)
InChI Key	XPDAYARHVAIRCS-UHFFFAOYSA-N
MDL Number	MFCD01197461
Molecular Formula	C17H18N2O4S
Molecular Weight	346.4008
SMILES	OC(C1=CC(S(N2CCN(C3=CC=CC=C3)CC2)(=O)=O)=CC=C1)=O
Synonyms	329932-88-9, 3-[(4-phenylpiperazin-1-yl)sulfonyl]benzoic acid, 3-(4-Phenyl-piperazine-1-sulfonyl)-benzoic acid, AC1LEQGB, Oprea1_109077, Oprea1_472380, 3-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid, AC1Q73J2, CTK7I8763, ZINC60885, HMS1761D07, MFCD01197461, AKOS000114920, MCULE-4399124045, NE59958, ST009020, FT-0724023, 3-[(4-phenylpiperazinyl)sulfonyl]benzoic acid, EN300-00530, 3-(4-phenylpiperazin-1-yl)sulfonylbenzoic acid, Z45618659, CID690611, AG-690/13703660,

Complexity	531
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	346.099g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	346.401g/mol
Monoisotopic Mass	346.099g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	86.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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