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Home Sulfos Methyl 1-[4-(aminosulfonyl)phenyl]-5-(4-chlorophenyl)-1h-pyrazole-3-carboxylate

Methyl 1-[4-(aminosulfonyl)phenyl]-5-(4-chlorophenyl)-1h-pyrazole-3-carboxylate

CAS No.:
170571-20-7
Catalog Number:
AG00BBH9
Molecular Formula:
C17H14ClN3O4S
Molecular Weight:
391.8288
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$168
- +
250mg
95%
In Stock USA
United States
$294
- +
1g
95%
In Stock USA
United States
$588
- +
5g
95%
In Stock USA
United States
$1764
- +
Product Description
Catalog Number:
AG00BBH9
Chemical Name:
Methyl 1-[4-(aminosulfonyl)phenyl]-5-(4-chlorophenyl)-1h-pyrazole-3-carboxylate
CAS Number:
170571-20-7
Molecular Formula:
C17H14ClN3O4S
Molecular Weight:
391.8288
MDL Number:
MFCD01315846
IUPAC Name:
methyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
InChI:
InChI=1S/C17H14ClN3O4S/c1-25-17(22)15-10-16(11-2-4-12(18)5-3-11)21(20-15)13-6-8-14(9-7-13)26(19,23)24/h2-10H,1H3,(H2,19,23,24)
InChI Key:
YYMGYENEYKIXFZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1nn(c(c1)c1ccc(cc1)Cl)c1ccc(cc1)S(=O)(=O)N
Properties
Complexity:
596  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.039g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
391.826g/mol
Monoisotopic Mass:
391.039g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties