N~2~-(biphenyl-4-ylsulfonyl)-N-hydroxy-N~2~-(2-hydroxyethyl)glycinamide
Thuốc Gốc
Small Molecule
CTHH: C16H18N2O5S
PTK: 350.39
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
350.39
Monoisotopic mass
350.093642386
InChI
InChI=1S/C16H18N2O5S/c19-11-10-18(12-16(20)17-21)24(22,23)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,19,21H,10-12H2,(H,17,20)
InChI Key
InChIKey=QQDWEVONJRXVDB-UHFFFAOYSA-N
IUPAC Name
N-hydroxy-2-[N-(2-hydroxyethyl)(4-phenylbenzene)sulfonamido]acetamide
Traditional IUPAC Name
N-hydroxy-2-[N-(2-hydroxyethyl)(4-phenylbenzene)sulfonamido]acetamide
SMILES
OCCN(CC(=O)NO)S(=O)(=O)C1=CC=C(C=C1)C1=CC=CC=C1
Độ hòa tan
7.27e-02 g/l
logP
0.65
logS
-3.7
pKa (strongest acidic)
8.74
pKa (Strongest Basic)
-2.6
PSA
106.94 Å2
Refractivity
89.11 m3·mol-1
Polarizability
34.96 Å3
Rotatable Bond Count
6
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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