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284681-92-1 | 4-Pyrimidinamine, 6-chloro-2-(phenylsulfonyl)-
CAS No: 284681-92-1 Catalog No: AG002VF5 MDL No:
Product Description
Catalog Number:
AG002VF5
Chemical Name:
4-Pyrimidinamine, 6-chloro-2-(phenylsulfonyl)-
CAS Number:
284681-92-1
Molecular Formula:
C10H8ClN3O2S
Molecular Weight:
269.7074
IUPAC Name:
2-(benzenesulfonyl)-6-chloropyrimidin-4-amine
InChI:
InChI=1S/C10H8ClN3O2S/c11-8-6-9(12)14-10(13-8)17(15,16)7-4-2-1-3-5-7/h1-6H,(H2,12,13,14)
InChI Key:
MCPVNFXIJXGRBD-UHFFFAOYSA-N
SMILES:
Nc1cc(Cl)nc(n1)S(=O)(=O)c1ccccc1
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.003g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.703g/mol
Monoisotopic Mass:
269.003g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Structure-activity relationship studies on potential non-nucleoside DABO-like inhibitors of HIV-1 reverse transcriptase. | Antiviral chemistry & chemotherapy 20000301 |
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