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439108-35-7 | 2,4,6-trimethyl-N-[2-(pyridin-3-yl)pyrimidin-4-yl]benzene-1-sulfonamide
CAS No: 439108-35-7 Catalog No: AG00IQ8L MDL No:MFCD02661728
Product Description
Catalog Number:
AG00IQ8L
Chemical Name:
2,4,6-trimethyl-N-[2-(pyridin-3-yl)pyrimidin-4-yl]benzene-1-sulfonamide
CAS Number:
439108-35-7
Molecular Formula:
C18H18N4O2S
Molecular Weight:
354.4261
MDL Number:
MFCD02661728
IUPAC Name:
2,4,6-trimethyl-N-(2-pyridin-3-ylpyrimidin-4-yl)benzenesulfonamide
InChI:
InChI=1S/C18H18N4O2S/c1-12-9-13(2)17(14(3)10-12)25(23,24)22-16-6-8-20-18(21-16)15-5-4-7-19-11-15/h4-11H,1-3H3,(H,20,21,22)
InChI Key:
MXINLYCPNMLGET-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)C)S(=O)(=O)Nc1ccnc(n1)c1cccnc1
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.115g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.428g/mol
Monoisotopic Mass:
354.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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 |
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