Name: Name:2-(piperidin-1-yl)-5-(piperidine-1-sulfonyl)benzoic acid
Brand: Angene
SKU: AG019IDS
Rating: 90 (10 reviews)

2-(piperidin-1-yl)-5-(piperidine-1-sulfonyl)benzoic acid

CAS No.:

37093-37-1

Catalog Number:

AG019IDS

Molecular Formula:

C17H24N2O4S

Molecular Weight:

352.4485

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Product Description

Catalog Number:

AG019IDS

Chemical Name:

2-(piperidin-1-yl)-5-(piperidine-1-sulfonyl)benzoic acid

CAS Number:

37093-37-1

Molecular Formula:

C17H24N2O4S

Molecular Weight:

352.4485

MDL Number:

MFCD04608608

IUPAC Name:

2-piperidin-1-yl-5-piperidin-1-ylsulfonylbenzoic acid

InChI:

InChI=1S/C17H24N2O4S/c20-17(21)15-13-14(24(22,23)19-11-5-2-6-12-19)7-8-16(15)18-9-3-1-4-10-18/h7-8,13H,1-6,9-12H2,(H,20,21)

InChI Key:

VZMZTMZQLSMEJE-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc(ccc1N1CCCCC1)S(=O)(=O)N1CCCCC1

Properties

Complexity:

533

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

352.146g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

352.449g/mol

Monoisotopic Mass:

352.146g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

86.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

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