Name: Name:Benzeneacetic acid, α-[[(4-fluorophenyl)sulfonyl]amino]-, (S)- (9CI)
Brand: Angene
SKU: AG000E3R
Rating: 90 (10 reviews)

Benzeneacetic acid, α-[[(4-fluorophenyl)sulfonyl]amino]-, (S)- (9CI)

CAS No.:

117309-49-6

Catalog Number:

AG000E3R

Molecular Formula:

C14H12FNO4S

Molecular Weight:

309.3128

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Product Description

Catalog Number:

AG000E3R

Chemical Name:

Benzeneacetic acid, α-[[(4-fluorophenyl)sulfonyl]amino]-, (S)- (9CI)

CAS Number:

117309-49-6

Molecular Formula:

C14H12FNO4S

Molecular Weight:

309.3128

MDL Number:

MFCD00173006

IUPAC Name:

2-[(4-fluorophenyl)sulfonylamino]-2-phenylacetic acid

InChI:

InChI=1S/C14H12FNO4S/c15-11-6-8-12(9-7-11)21(19,20)16-13(14(17)18)10-4-2-1-3-5-10/h1-9,13,16H,(H,17,18)

InChI Key:

RDYJUVZFLCNBPH-UHFFFAOYSA-N

SMILES:

OC(=O)[C@H](c1ccccc1)NS(=O)(=O)c1ccc(cc1)F

Properties

Complexity:

448

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

309.047g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

309.311g/mol

Monoisotopic Mass:

309.047g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3

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