Name: Name:1-[4-chloro-3-(trifluoromethyl)benzenesulfonyl]piperidine-4-carboxylic acid
Brand: Angene
SKU: AG019ILT
Rating: 90 (10 reviews)

1-[4-chloro-3-(trifluoromethyl)benzenesulfonyl]piperidine-4-carboxylic acid

CAS No.:

727718-11-8

Catalog Number:

AG019ILT

Molecular Formula:

C13H13ClF3NO4S

Molecular Weight:

371.7598

Catalog Number:

AG019ILT

Chemical Name:

1-[4-chloro-3-(trifluoromethyl)benzenesulfonyl]piperidine-4-carboxylic acid

CAS Number:

727718-11-8

Molecular Formula:

C13H13ClF3NO4S

Molecular Weight:

371.7598

MDL Number:

MFCD04619540

IUPAC Name:

1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylic acid

InChI:

InChI=1S/C13H13ClF3NO4S/c14-11-2-1-9(7-10(11)13(15,16)17)23(21,22)18-5-3-8(4-6-18)12(19)20/h1-2,7-8H,3-6H2,(H,19,20)

InChI Key:

LUVBPRSIHUQMSZ-UHFFFAOYSA-N

SMILES:

OC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(c(c1)C(F)(F)F)Cl

Complexity:

540

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

371.021g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

371.755g/mol

Monoisotopic Mass:

371.021g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6