Home Sulfos 4-{[(4-fluorophenyl)sulfonyl]amino}butanoic acid

4-{[(4-fluorophenyl)sulfonyl]amino}butanoic acid

CAS No.:
405919-75-7
Catalog Number:
AG00JCVH
Molecular Formula:
C10H12FNO4S
Molecular Weight:
261.2700
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Product Description
Catalog Number:
AG00JCVH
Chemical Name:
4-{[(4-fluorophenyl)sulfonyl]amino}butanoic acid
CAS Number:
405919-75-7
Molecular Formula:
C10H12FNO4S
Molecular Weight:
261.2700
MDL Number:
MFCD02331433
IUPAC Name:
4-[(4-fluorophenyl)sulfonylamino]butanoic acid
InChI:
InChI=1S/C10H12FNO4S/c11-8-3-5-9(6-4-8)17(15,16)12-7-1-2-10(13)14/h3-6,12H,1-2,7H2,(H,13,14)
InChI Key:
BPQIMZMQDTUPAE-UHFFFAOYSA-N
SMILES:
OC(=O)CCCNS(=O)(=O)c1ccc(cc1)F
Properties
Complexity:
344  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.047g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
261.267g/mol
Monoisotopic Mass:
261.047g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
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