Home Amines 10252-65-0
10252-65-0,MFCD05804383
Catalog No.:AA0007KW
10252-65-0 | 4-[(Propylamino)sulfonyl]benzoic acid
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5g
95%
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$293.00   $205.00
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Technical Information
Catalog Number:
AA0007KW
Chemical Name:
4-[(Propylamino)sulfonyl]benzoic acid
CAS Number:
10252-65-0
Molecular Formula:
C10H13NO4S
Molecular Weight:
243.2795
MDL Number:
MFCD05804383
IUPAC Name:
4-(propylsulfamoyl)benzoic acid
InChI:
InChI=1S/C10H13NO4S/c1-2-7-11-16(14,15)9-5-3-8(4-6-9)10(12)13/h3-6,11H,2,7H2,1H3,(H,12,13)
InChI Key:
WEXMBOAZBOVQSM-UHFFFAOYSA-N
SMILES:
CCCNS(=O)(=O)c1ccc(cc1)C(=O)O
Properties
Computed Properties
 
Complexity:
325  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.057g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
243.277g/mol
Monoisotopic Mass:
243.057g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

Synonyms
 
10252-65-0 
4-[(Propylamino)sulfonyl]benzoic acid 
Probenecid, mono-(des-N-propyl) 
p-(N-propylsulfamoyl)benzoic acid 
WEXMBOAZBOVQSM-UHFFFAOYSA-N 
Benzoic acid, p-(propylsulfamoyl)- 
ZINC6697080 
MFCD05804383 
AKOS000123906 
MCULE-2910558140 
AJ-56695 
BB 0237920 
4-(propylsulfamoyl)benzoic acid 
Y-1816 
CID611818 
4-Propylsulfamoyl-benzoic acid 
Benzoic acid, 4-[(propylamino)sulfonyl]- 
4-(N-Propylsulfamoyl)benzoic acid 
p-(Propylsulfamoyl)benzoic acid 
AC1LD49X 
CTK0G7559 
DTXSID20346396 
Literature
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