Home Other Building Blocks 1016715-95-9
1016715-95-9,MFCD09814233
Catalog No.:AA00052I
1016715-95-9 | 3-(Methylcarbamoyl)benzenesulfonyl chloride
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$143.00   $100.00
- +
1g
95%
in stock  
$381.00   $267.00
- +
5g
95%
in stock  
$1,143.00   $800.00
- +
10g
95%
in stock  
$1,905.00   $1,334.00
- +
25g
95%
in stock  
$3,810.00   $2,667.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA00052I
Chemical Name:
3-(Methylcarbamoyl)benzenesulfonyl chloride
CAS Number:
1016715-95-9
Molecular Formula:
C8H8ClNO3S
Molecular Weight:
233.6720
MDL Number:
MFCD09814233
IUPAC Name:
3-(methylcarbamoyl)benzenesulfonyl chloride
InChI:
InChI=1S/C8H8ClNO3S/c1-10-8(11)6-3-2-4-7(5-6)14(9,12)13/h2-5H,1H3,(H,10,11)
InChI Key:
XRJDVAPXWOSTLA-UHFFFAOYSA-N
SMILES:
CNC(=O)c1cccc(c1)S(=O)(=O)Cl
Properties
Computed Properties
 
Complexity:
309  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.991g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
233.666g/mol
Monoisotopic Mass:
232.991g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

Synonyms
 
1016715-95-9 
3-[(Methylamino)carbonyl]benzenesulfonyl chloride 
DA-18449 
FT-0703158 
Z6372 
Y-5560 
Benzenesulfonyl chloride, 3-[(methylamino)carbonyl]- 
3-[(Methylamino)carbonyl]benzenesulfonyl chloride, AldrichCPR 
C8H8ClNO3S 
2-AMINO-N,6-DIMETHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE 
3-(methylcarbamoyl)benzenesulfonyl chloride 
3-(Methylcarbamoyl)benzene-1-sulfonyl chloride 
SCHEMBL12926128 
CTK4A0089 
DTXSID20592513 
MFCD09814233 
AKOS000166053 
ZINC100089282 
Literature
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