5-(4-FLUOROPHENYL)-3-{[(4-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE-2-CARBOXYLIC ACID
Thuốc Gốc
Small Molecule
CTHH: C18H14FNO4S2
PTK: 391.436
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
391.436
Monoisotopic mass
391.034827526
InChI
InChI=1S/C18H14FNO4S2/c1-11-2-8-14(9-3-11)26(23,24)20-15-10-16(25-17(15)18(21)22)12-4-6-13(19)7-5-12/h2-10,20H,1H3,(H,21,22)
InChI Key
InChIKey=DJPFUQBNQLKCAB-UHFFFAOYSA-N
IUPAC Name
5-(4-fluorophenyl)-3-[(4-methylbenzene)sulfonamido]thiophene-2-carboxylic acid
Traditional IUPAC Name
5-(4-fluorophenyl)-3-(4-methylbenzenesulfonamido)thiophene-2-carboxylic acid
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC1=C(SC(=C1)C1=CC=C(F)C=C1)C(O)=O
Độ hòa tan
2.17e-03 g/l
logP
4.33
logS
-5.3
pKa (strongest acidic)
3.82
pKa (Strongest Basic)
-9
PSA
83.47 Å2
Refractivity
97.21 m3·mol-1
Polarizability
38.88 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
4
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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