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Home > Pyridines > 750613-43-5
750613-43-5 | 4-methoxy-3-[(pyridin-2-ylmethyl)sulfamoyl]benzoic acid
CAS No: 750613-43-5 Catalog No: AG019GOW MDL No:MFCD03655866
Product Description
Catalog Number:
AG019GOW
Chemical Name:
4-methoxy-3-[(pyridin-2-ylmethyl)sulfamoyl]benzoic acid
CAS Number:
750613-43-5
Molecular Formula:
C14H14N2O5S
Molecular Weight:
322.3364
MDL Number:
MFCD03655866
IUPAC Name:
4-methoxy-3-(pyridin-2-ylmethylsulfamoyl)benzoic acid
InChI:
InChI=1S/C14H14N2O5S/c1-21-12-6-5-10(14(17)18)8-13(12)22(19,20)16-9-11-4-2-3-7-15-11/h2-8,16H,9H2,1H3,(H,17,18)
InChI Key:
VTPRAEHGOQFMGD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1S(=O)(=O)NCc1ccccn1)C(=O)O
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.062g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
322.335g/mol
Monoisotopic Mass:
322.062g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
114A^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 |
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