N'-(5-CHLOROBENZOFURAN-2-CARBONYL)-2-(TRIFLUOROMETHYL)BENZENESULFONOHYDRAZIDE
Thuốc Gốc
Small Molecule
CTHH: C16H10ClF3N2O4S
PTK: 418.775
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
418.775
Monoisotopic mass
418.00018983
InChI
InChI=1S/C16H10ClF3N2O4S/c17-10-5-6-12-9(7-10)8-13(26-12)15(23)21-22-27(24,25)14-4-2-1-3-11(14)16(18,19)20/h1-8,22H,(H,21,23)
InChI Key
InChIKey=ZLQBZYKAQQWOTK-UHFFFAOYSA-N
IUPAC Name
5-chloro-N'-{[2-(trifluoromethyl)benzene]sulfonyl}-1-benzofuran-2-carbohydrazide
Traditional IUPAC Name
5-chloro-N'-[2-(trifluoromethyl)benzenesulfonyl]-1-benzofuran-2-carbohydrazide
SMILES
FC(F)(F)C1=CC=CC=C1S(=O)(=O)NNC(=O)C1=CC2=CC(Cl)=CC=C2O1
Độ hòa tan
1.52e-02 g/l
logP
3.41
logS
-4.4
pKa (strongest acidic)
4.04
pKa (Strongest Basic)
-4.6
PSA
88.41 Å2
Refractivity
91.25 m3·mol-1
Polarizability
35.7 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
3
H Bond Donor Count
2
Physiological Charge
-1
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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