4-METHYL-N-METHYL-N-(2-PHENYL-2H-PYRAZOL-3-YL)BENZENESULFONAMIDE
Thuốc Gốc
Small Molecule
CTHH: C17H17N3O2S
PTK: 327.401
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
327.401
Monoisotopic mass
327.104147493
InChI
InChI=1S/C17H17N3O2S/c1-14-8-10-16(11-9-14)23(21,22)19(2)17-12-13-18-20(17)15-6-4-3-5-7-15/h3-13H,1-2H3
InChI Key
InChIKey=KRHPBWNETCEFGS-UHFFFAOYSA-N
IUPAC Name
N,4-dimethyl-N-(1-phenyl-1H-pyrazol-5-yl)benzene-1-sulfonamide
Traditional IUPAC Name
N,4-dimethyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
SMILES
CN(C1=CC=NN1C1=CC=CC=C1)S(=O)(=O)C1=CC=C(C)C=C1
Độ hòa tan
1.87e-01 g/l
logP
3.37
logS
-3.2
pKa (Strongest Basic)
2.06
PSA
55.2 Å2
Refractivity
90.44 m3·mol-1
Polarizability
34.16 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
3
H Bond Donor Count
0
Physiological Charge
0
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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