Home Sulfos 4-{[Cyclohexyl(methyl)amino]sulfonyl}benzoic acid

4-{[Cyclohexyl(methyl)amino]sulfonyl}benzoic acid

CAS No.:
101116-05-6
Catalog Number:
AG00H9FM
Molecular Formula:
C14H19NO4S
Molecular Weight:
297.3700
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Product Description
Catalog Number:
AG00H9FM
Chemical Name:
4-{[Cyclohexyl(methyl)amino]sulfonyl}benzoic acid
CAS Number:
101116-05-6
Molecular Formula:
C14H19NO4S
Molecular Weight:
297.3700
MDL Number:
MFCD03116971
IUPAC Name:
4-[cyclohexyl(methyl)sulfamoyl]benzoic acid
InChI:
InChI=1S/C14H19NO4S/c1-15(12-5-3-2-4-6-12)20(18,19)13-9-7-11(8-10-13)14(16)17/h7-10,12H,2-6H2,1H3,(H,16,17)
InChI Key:
YDLBZBGMPDONSY-UHFFFAOYSA-N
SMILES:
CN(S(=O)(=O)c1ccc(cc1)C(=O)O)C1CCCCC1
Properties
Complexity:
429  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.103g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
297.369g/mol
Monoisotopic Mass:
297.103g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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
Properties