2-{4-[4-(4-Chloro-Phenoxy)-Benzenesulfonyl]-Tetrahydro-Pyran-4-Yl}-N-Hydroxy-Acetamide
Thuốc Gốc
Small Molecule
CTHH: C19H20ClNO6S
PTK: 425.883
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
425.883
Monoisotopic mass
425.069985774
InChI
InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)19(13-18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)
InChI Key
InChIKey=QOPFTBAEAJQKSY-UHFFFAOYSA-N
IUPAC Name
2-(4-{[4-(4-chlorophenoxy)benzene]sulfonyl}oxan-4-yl)-N-hydroxyacetamide
Traditional IUPAC Name
2-{4-[4-(4-chlorophenoxy)benzenesulfonyl]oxan-4-yl}-N-hydroxyacetamide
SMILES
ONC(=O)CC1(CCOCC1)S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1
Độ hòa tan
1.24e-02 g/l
logP
2.16
logS
-4.5
pKa (strongest acidic)
8.89
pKa (Strongest Basic)
-4.1
PSA
101.93 Å2
Refractivity
103.59 m3·mol-1
Polarizability
40.75 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
5
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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