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35623-11-1,MFCD02707876
Catalog No.:AA003IOW
35623-11-1 | 3-(Methylsulfamoyl)benzoic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$72.00   $50.00
- +
5g
97%
in stock  
$179.00   $125.00
- +
10g
97%
in stock  
$256.00   $179.00
- +
25g
97%
in stock  
$524.00   $367.00
  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IOW
Chemical Name:
3-(Methylsulfamoyl)benzoic acid
CAS Number:
35623-11-1
Molecular Formula:
C8H9NO4S
Molecular Weight:
215.2264
MDL Number:
MFCD02707876
IUPAC Name:
3-(methylsulfamoyl)benzoic acid
InChI:
InChI=1S/C8H9NO4S/c1-9-14(12,13)7-4-2-3-6(5-7)8(10)11/h2-5,9H,1H3,(H,10,11)
InChI Key:
UTZKLODUDPSLBT-UHFFFAOYSA-N
SMILES:
CNS(=O)(=O)c1cccc(c1)C(=O)O
NSC Number:
74787
Properties
Computed Properties
 
Complexity:
306  
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:
0.4  

Synonyms
 
35623-11-1 
3-(methylsulfamoyl)benzoic acid 
ACMC-209ii6 
AC1L5MG7 
AC1Q41CJ 
AC1Q6VP1 
Oprea1_641871 
SCHEMBL35539 
3-(Methylsulphamoyl)benzoic acid 
CTK4H4978 
DTXSID70291307 
UTZKLODUDPSLBT-UHFFFAOYSA-N 
3-methylsulfamoyl-benzoic acid 
HMS1755L18 
KS-00000CC9 
ZINC1621224 
ANW-28252 
BBL029755 
MFCD02707876 
NSC-74787 
SBB095105 
STK982293 
3-[(Methylamino)sulphonyl]benzoicAcid 
3-(N-Methylsulfamoyl)benzoic acid 
AKOS000114987 
methylaminosulfonylbenzenecarboxylicacid 
LB-0716 
MCULE-8197931797 
RP12459 
TRA0100246 
Benzoic acid,3-[(methylamino)sulfonyl]- 
AJ-28340 
SC-27065 
SY003085 
3-[(Methylamino)sulphonyl]benzoic acid 
AB0058006 
TR-033360 
BB 0237865 
FT-0681181 
ST51063094 
V5463 
EN300-00533 
C-4243 
MFCD02707876 (97+%) 
J-510920 
3-[(Methylamino)sulfonyl]benzenecarboxylic acid 
I14-20094 
Z53038386 
3-[ sulphonyl]benzoicacid 
C8H9NO4S 
AR-1F4586 
CID252654 
2-Methyl-2-(morpholin-4-yl)propan-1-ylamine 
35807-20-6 
3-[(methylamino)sulfonyl]benzoic acid 
Benzoic acid, 3-[(methylamino)sulfonyl]- 
NSC74787 
PubChem20090 
Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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