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Home Amines 10252-63-8
10252-63-8,MFCD05804382
Catalog No.:AA0007KY
10252-63-8 | 4-[(Methylamino)sulfonyl]benzoic acid
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Purity
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1g
95%
in stock  
$190.00   $133.00
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2.5g
95%
in stock  
$368.00   $258.00
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0007KY
Chemical Name:
4-[(Methylamino)sulfonyl]benzoic acid
CAS Number:
10252-63-8
Molecular Formula:
C8H9NO4S
Molecular Weight:
215.2264
MDL Number:
MFCD05804382
IUPAC Name:
4-(methylsulfamoyl)benzoic acid
InChI:
InChI=1S/C8H9NO4S/c1-9-14(12,13)7-4-2-6(3-5-7)8(10)11/h2-5,9H,1H3,(H,10,11)
InChI Key:
PAOYGUDKABVANA-UHFFFAOYSA-N
SMILES:
CNS(=O)(=O)c1ccc(cc1)C(=O)O
Properties
Computed Properties
 
Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.025g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
215.223g/mol
Monoisotopic Mass:
215.025g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

Synonyms
 
10252-63-8 
4-(N-Methylsulfamoyl)benzoic acid 
SCHEMBL1764031 
4-methylaminosulfonylbenzoic acid 
CTK4A1170 
DTXSID40333440 
PAOYGUDKABVANA-UHFFFAOYSA-N 
4-(methylaminosulfonyl)benzoic acid 
ACMC-209820 
ZINC3597296 
ANW-14710 
BBL003954 
4-[(methylamino)sulfonyl]benzoic acid 
MFCD05804382 
STK803588 
AKOS000112034 
MCULE-7861779315 
Benzoic acid,4-[(methylamino)sulfonyl]- 
AJ-45074 
BS-13901 
AB0058003 
ST2405456 
TC-103455 
4-(methylsulfamoyl)benzoic acid 
BB 0237912 
FT-0683628 
Z6533 
EN300-13903 
B-6279 
4-[(methylamino)sulfonyl]benzoic acid, AldrichCPR 
I01-14461 
4-(methylsulfamoyl)benzoate 
C8H9NO4S 
4-(N-Methylsulfamoyl)benzoicacid 
4-Methylsulfamoyl-benzoic acid 
AIDS169333 
CID506056 
Benzoic acid, 4-[(methylamino)sulfonyl]- 
AC1LA2IX 
AC1Q41D6 
CHEMBL130011 
p-(Methylsulfamoyl)benzoic acid 
Literature

Title: Design and synthesis of benzoic acid derivatives as influenza neuraminidase inhibitors using structure-based drug design.

Journal: Journal of medicinal chemistry 19971205

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