Home Amines 10252-68-3
10252-68-3,MFCD04035129
Catalog No.:AA0007KU
10252-68-3 | Benzoic acid, 4-[[(2-methylpropyl)amino]sulfonyl]-
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250mg
95.0%
3 weeks  
$211.00   $148.00
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500mg
95.0%
3 weeks  
$341.00   $239.00
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1g
95.0%
3 weeks  
$471.00   $330.00
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Technical Information
Catalog Number:
AA0007KU
Chemical Name:
Benzoic acid, 4-[[(2-methylpropyl)amino]sulfonyl]-
CAS Number:
10252-68-3
Molecular Formula:
C11H15NO4S
Molecular Weight:
257.3061
MDL Number:
MFCD04035129
IUPAC Name:
4-(2-methylpropylsulfamoyl)benzoic acid
InChI:
InChI=1S/C11H15NO4S/c1-8(2)7-12-17(15,16)10-5-3-9(4-6-10)11(13)14/h3-6,8,12H,7H2,1-2H3,(H,13,14)
InChI Key:
VKGRSBHIZXZUIB-UHFFFAOYSA-N
SMILES:
CC(CNS(=O)(=O)c1ccc(cc1)C(=O)O)C
Properties
Computed Properties
 
Complexity:
350  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.072g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
257.304g/mol
Monoisotopic Mass:
257.072g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

Synonyms
 
4-[(Isobutylamino)sulfonyl]benzoic acid 
10252-68-3 
VKGRSBHIZXZUIB-UHFFFAOYSA-N 
ZINC874525 
4-(N-Isobutylsulfamoyl)benzoic acid 
AKOS000123165 
MCULE-4079122343 
NE21504 
4-(2-methylpropylsulfamoyl)benzoic acid 
4-[(Isobutylamino)sulfonyl]benzoic acid # 
EN300-36037 
Benzoic acid,4-[[(2-methylpropyl)amino]sulfonyl]- 
4-[(2-methylpropyl)sulfamoyl]benzoic acid 
J-000714 
Benzoic acid, 4-[[(2-methylpropyl)amino]sulfonyl]- 
CID611819 
p-(Isobutylsulfamoyl)benzoic acid 
AC1Q1PQC 
AC1LD4A0 
SCHEMBL13380208 
CTK4A1171 
DTXSID80346397 
4-(Isobutylsulfamoyl)benzoic acid 
Literature
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