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155144-44-8 | 1H-Pyrazole-4-carboxylic acid, 3-[(methylphenylamino)sulfonyl]-, ethyl ester
CAS No: 155144-44-8 Catalog No: AG001NNL MDL No:
Product Description
Catalog Number:
AG001NNL
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 3-[(methylphenylamino)sulfonyl]-, ethyl ester
CAS Number:
155144-44-8
Molecular Formula:
C13H15N3O4S
Molecular Weight:
309.3409
IUPAC Name:
ethyl 5-[methyl(phenyl)sulfamoyl]-1H-pyrazole-4-carboxylate
InChI:
InChI=1S/C13H15N3O4S/c1-3-20-13(17)11-9-14-15-12(11)21(18,19)16(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,14,15)
InChI Key:
RDWVJTNHHWOXBA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c[nH]nc1S(=O)(=O)N(c1ccccc1)C
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.078g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.34g/mol
Monoisotopic Mass:
309.078g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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