Tìm theo
1-Phenylsulfonamide-3-Trifluoromethyl-5-Parabromophenylpyrazole
Thuốc Gốc
Small Molecule
CTHH: C16H11BrF3N3O2S
PTK: 446.242
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C16H11BrF3N3O2S
Phân tử khối
446.242
Monoisotopic mass
444.970744563
InChI
InChI=1S/C16H11BrF3N3O2S/c17-11-3-1-10(2-4-11)14-9-15(16(18,19)20)22-23(14)12-5-7-13(8-6-12)26(21,24)25/h1-9H,(H2,21,24,25)
InChI Key
InChIKey=OYZKFVIVPRQRQQ-UHFFFAOYSA-N
IUPAC Name
4-[5-(4-bromophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzene-1-sulfonamide
Traditional IUPAC Name
4-[5-(4-bromophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILES
NS(=O)(=O)C1=CC=C(C=C1)N1N=C(C=C1C1=CC=C(Br)C=C1)C(F)(F)F
Độ hòa tan
2.51e-03 g/l
logP
4.26
logS
-5.2
pKa (strongest acidic)
10.7
pKa (Strongest Basic)
-0.45
PSA
77.98 Å2
Refractivity
94.82 m3·mol-1
Polarizability
36.43 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
3
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB03477
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=1396
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46508683
ChemSpider
http://www.chemspider.com/Chemical-Structure.1353.html
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