(2R)-2-AMINO-3,3,3-TRIFLUORO-N-HYDROXY-2-{[(4-PHENOXYPHENYL)SULFONYL]METHYL}PROPANAMIDE
Thuốc Gốc
Small Molecule
CTHH: C16H15F3N2O5S
PTK: 404.361
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
404.361
Monoisotopic mass
404.065376905
InChI
InChI=1S/C16H15F3N2O5S/c17-16(18,19)15(20,14(22)21-23)10-27(24,25)13-8-6-12(7-9-13)26-11-4-2-1-3-5-11/h1-9,23H,10,20H2,(H,21,22)/t15-/m1/s1
InChI Key
InChIKey=MKRPIBSCGZAUCH-OAHLLOKOSA-N
IUPAC Name
(2R)-2-amino-3,3,3-trifluoro-N-hydroxy-2-{[(4-phenoxybenzene)sulfonyl]methyl}propanamide
Traditional IUPAC Name
(2R)-2-amino-3,3,3-trifluoro-N-hydroxy-2-[(4-phenoxybenzenesulfonyl)methyl]propanamide
SMILES
N[C@](CS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)(C(=O)NO)C(F)(F)F
Độ hòa tan
2.58e-02 g/l
logP
1.58
logS
-4.2
pKa (strongest acidic)
8.6
pKa (Strongest Basic)
1.86
PSA
118.72 Å2
Refractivity
88.59 m3·mol-1
Polarizability
34.11 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
5
H Bond Donor Count
3
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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