Name: Name:3-(4-Methyl-1-piperazinylsulfonyl)benzoic Acid
Brand: Angene
SKU: AG00D5MQ
Rating: 90 (10 reviews)

3-(4-Methyl-1-piperazinylsulfonyl)benzoic Acid

CAS No.:

380339-63-9

Catalog Number:

AG00D5MQ

Molecular Formula:

C12H16N2O4S

Molecular Weight:

284.3314

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Product Description

Catalog Number:

AG00D5MQ

Chemical Name:

3-(4-Methyl-1-piperazinylsulfonyl)benzoic Acid

CAS Number:

380339-63-9

Molecular Formula:

C12H16N2O4S

Molecular Weight:

284.3314

MDL Number:

MFCD02725037

IUPAC Name:

3-(4-methylpiperazin-1-yl)sulfonylbenzoic acid

InChI:

InChI=1S/C12H16N2O4S/c1-13-5-7-14(8-6-13)19(17,18)11-4-2-3-10(9-11)12(15)16/h2-4,9H,5-8H2,1H3,(H,15,16)

InChI Key:

VJVSNPXBBRHNRF-UHFFFAOYSA-N

SMILES:

CN1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)O

Properties

Complexity:

424

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

284.083g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

284.33g/mol

Monoisotopic Mass:

284.083g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

86.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-1.9

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Properties