Name: Name:4-(piperidin-1-yl)-3-(piperidine-1-sulfonyl)benzoic acid
Brand: Angene
SKU: AG019PHH
Rating: 90 (10 reviews)

4-(piperidin-1-yl)-3-(piperidine-1-sulfonyl)benzoic acid

CAS No.:

875163-42-1

Catalog Number:

AG019PHH

Molecular Formula:

C17H24N2O4S

Molecular Weight:

352.4485

Catalog Number:

AG019PHH

Chemical Name:

4-(piperidin-1-yl)-3-(piperidine-1-sulfonyl)benzoic acid

CAS Number:

875163-42-1

Molecular Formula:

C17H24N2O4S

Molecular Weight:

352.4485

MDL Number:

MFCD07838412

IUPAC Name:

4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoic acid

InChI:

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

InChI Key:

FGFILSIODSULAP-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc(c(c1)S(=O)(=O)N1CCCCC1)N1CCCCC1

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