3-FLUORO-N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOL-5-YL]BENZENESULFONAMIDE
Thuốc Gốc
Small Molecule
CTHH: C19H13F2N3O2S2
PTK: 417.452
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
417.452
Monoisotopic mass
417.041724465
InChI
InChI=1S/C19H13F2N3O2S2/c20-13-6-8-15(9-7-13)24-19(12-17(22-24)18-5-2-10-27-18)23-28(25,26)16-4-1-3-14(21)11-16/h1-12,23H
InChI Key
InChIKey=GULUFDCOGAXLEP-UHFFFAOYSA-N
IUPAC Name
3-fluoro-N-[1-(4-fluorophenyl)-3-(thiophen-2-yl)-1H-pyrazol-5-yl]benzene-1-sulfonamide
Traditional IUPAC Name
3-fluoro-N-[2-(4-fluorophenyl)-5-(thiophen-2-yl)pyrazol-3-yl]benzenesulfonamide
SMILES
FC1=CC=C(C=C1)N1N=C(C=C1NS(=O)(=O)C1=CC=CC(F)=C1)C1=CC=CS1
Độ hòa tan
7.28e-03 g/l
logP
4.73
logS
-4.8
pKa (strongest acidic)
6.31
pKa (Strongest Basic)
1.42
PSA
63.99 Å2
Refractivity
102.59 m3·mol-1
Polarizability
39.62 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
3
H Bond Donor Count
1
Physiological Charge
-1
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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