(2R)-2-{[(4-FLUORO-3-METHYLPHENYL)SULFONYL]AMINO}-N-HYDROXY-2-TETRAHYDRO-2H-PYRAN-4-YLACETAMIDE
Thuốc Gốc
Small Molecule
CTHH: C14H19FN2O5S
PTK: 346.374
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
346.374
Monoisotopic mass
346.099870623
InChI
InChI=1S/C14H19FN2O5S/c1-9-8-11(2-3-12(9)15)23(20,21)17-13(14(18)16-19)10-4-6-22-7-5-10/h2-3,8,10,13,17,19H,4-7H2,1H3,(H,16,18)/t13-/m1/s1
InChI Key
InChIKey=LUCFRFDOOYLALP-CYBMUJFWSA-N
IUPAC Name
(2R)-2-[(4-fluoro-3-methylbenzene)sulfonamido]-N-hydroxy-2-(oxan-4-yl)acetamide
Traditional IUPAC Name
(2R)-2-(4-fluoro-3-methylbenzenesulfonamido)-N-hydroxy-2-(oxan-4-yl)acetamide
SMILES
[H][C@@](NS(=O)(=O)C1=CC(C)=C(F)C=C1)(C1CCOCC1)C(=O)NO
Độ hòa tan
1.16e+00 g/l
logP
0.76
logS
-2.5
pKa (strongest acidic)
8.68
pKa (Strongest Basic)
-4.1
PSA
104.73 Å2
Refractivity
81.08 m3·mol-1
Polarizability
32.84 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
5
H Bond Donor Count
3
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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