N-[4-(AMINOSULFONYL)BENZYL]-5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-1H-PYRAZOLE-4-CARBOXAMIDE
Thuốc Gốc
Small Molecule
CTHH: C17H15ClN4O5S
PTK: 422.843
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
422.843
Monoisotopic mass
422.045168007
InChI
InChI=1S/C17H15ClN4O5S/c18-13-5-11(14(23)6-15(13)24)16-12(8-21-22-16)17(25)20-7-9-1-3-10(4-2-9)28(19,26)27/h1-6,8,23-24H,7H2,(H,20,25)(H,21,22)(H2,19,26,27)
InChI Key
InChIKey=OOHYJGNSESWEFT-UHFFFAOYSA-N
IUPAC Name
5-(5-chloro-2,4-dihydroxyphenyl)-N-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide
Traditional IUPAC Name
3-(5-chloro-2,4-dihydroxyphenyl)-N-[(4-sulfamoylphenyl)methyl]-2H-pyrazole-4-carboxamide
SMILES
NS(=O)(=O)C1=CC=C(CNC(=O)C2=C(NN=C2)C2=CC(Cl)=C(O)C=C2O)C=C1
Độ hòa tan
4.73e-02 g/l
logP
1.25
logS
-4
pKa (strongest acidic)
7.54
pKa (Strongest Basic)
1.04
PSA
158.4 Å2
Refractivity
104.27 m3·mol-1
Polarizability
40.16 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
6
H Bond Donor Count
5
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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